Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate
Catalog ID
STK821716
SMILES COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)/C=C/c2ccc(cc2)C(C)(C)C)/C1=O
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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 C33H33NO5S2 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO5S2/c1-33(2,3)25-12-6-22(7-13-25)11-17-30(35)39-26-14-8-23(9-15-26)21-29-31(36)34(32(40)41-29)19-18-24-10-16-27(37-4)28(20-24)38-5/h6-17,20-21H,18-19H2,1-5H3/b17-11+,29-21-InChIKey
XOPIPUVACIBGFU-GHHNYUHXSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)(E)3(4tertbutylphenyl)prop2enoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(4tertbutylphenyl)prop2enoate
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)CCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)C=Cc2ccc(cc2)C(C)(C)C)C1=O
InChI=1SC33H33NO5S2c133(23)2512622(71325)111730(35)392614823(91526)212931(36)34(32(40)4129)191824101627(374)28(2024)385h6172021H1819H215H3b1711+2921
MFCD03462965
ZINC000097946957
ZINC97946957
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