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-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561959
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)NCCc1scc(n1)C
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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 C34H37ClN2O10S MW 701.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37ClN2O10S/c1-16-10-20(38)27(32(40)34(16)33(41)28-21(42-3)14-22(43-4)29(35)31(28)47-34)19(13-25(39)36-9-8-26-37-17(2)15-48-26)18-11-23(44-5)30(46-7)24(12-18)45-6/h11-12,14-16,19,40H,8-10,13H2,1-7H3,(H,36,39)/t16-,19?,34+/m1/s1InChIKey
TYDBRBGUNUHWAR-OZIAJOADSA-NSynonyms
145705312
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(4methylthiazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(4methyl13thiazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(4methyl13thiazol2yl)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)NCCc1scc(n1)C
InChI=1SC34H37ClN2O10Sc1161020(38)27(32(40)34(16)33(41)2821(423)1422(434)29(35)31(28)4734)19(1325(39)3698263717(2)154826)181123(445)30(467)24(1218)456h111214161940H81013H217H3(H3639)t1619?34+m1s1
MFCD32651017
ZINC001848443457
ZINC001848443458
Check stock
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