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-sulfamoylethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561884
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)NCCS(=O)(=O)N
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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 C30H35ClN2O12S MW 683.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35ClN2O12S/c1-14-9-17(34)23(28(36)30(14)29(37)24-18(40-2)13-19(41-3)25(31)27(24)45-30)16(12-22(35)33-7-8-46(32,38)39)15-10-20(42-4)26(44-6)21(11-15)43-5/h10-11,13-14,16,36H,7-9,12H2,1-6H3,(H,33,35)(H2,32,38,39)/t14-,16?,30+/m1/s1InChIKey
KEIWQZMXWDXZAJ-NOTWYEQSSA-NSynonyms
145705238
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2sulfamoylethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2sulfamoylethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2sulfamoylethyl)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)NCCS(=O)(=O)N
InChI=1SC30H35ClN2O12Sc114917(34)23(28(36)30(14)29(37)2418(402)1319(413)25(31)27(24)4530)16(1222(35)337846(3238)39)151020(424)26(446)21(1115)435h101113141636H7912H216H3(H3335)(H2323839)t1416?30+m1s1
MFCD32650944
ZINC001848442815
ZINC001848442816
Check stock
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Check stock on Vitas-MAvailable files
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