Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561587
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCSCc1nc[nH]c1C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H40ClN3O10S MW 730.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40ClN3O10S/c1-17-10-22(40)28(33(42)35(17)34(43)29-23(44-3)14-24(45-4)30(36)32(29)49-35)20(19-11-25(46-5)31(48-7)26(12-19)47-6)13-27(41)37-8-9-50-15-21-18(2)38-16-39-21/h11-12,14,16-17,20,42H,8-10,13,15H2,1-7H3,(H,37,41)(H,38,39)/t17-,20?,35+/InChIKey
TXVVMBZYEIRMDK-VUTLOBADSA-NSynonyms
145704944
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(((5methyl1Himidazol4yl)methyl)thio)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2((5methyl1Himidazol4yl)methylsulfanyl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(((5METHYL1HIMIDAZOL4YL)METHYL)SULFANYL)ETHYL)3(345TRIMETHOXYPHENYL)P
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(((5methyl1Himidazol4yl)methyl)sulfanyl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCSCc1nc(nH)c1C
InChI=1SC35H40ClN3O10Sc1171022(40)28(33(42)35(17)34(43)2923(443)1424(454)30(36)32(29)4935)20(191125(465)31(487)26(1219)476)1327(41)378950152118(2)38163921h11121416172042H8101315H217H3(H3741)(H3839)t1720?35+m1s1
MFCD32650652
ZINC001848443050
ZINC001848443051
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