Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl 4-tert-butylbenzoate
Catalog ID
STK821692
SMILES COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)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 C31H31NO5S2 MW 561.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO5S2/c1-31(2,3)23-11-9-22(10-12-23)29(34)37-24-13-6-20(7-14-24)19-27-28(33)32(30(38)39-27)17-16-21-8-15-25(35-4)26(18-21)36-5/h6-15,18-19H,16-17H2,1-5H3/b27-19-InChIKey
CHYDYJIJHOOORA-DIBXZPPDSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)4tertbutylbenzoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=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)c2ccc(cc2)C(C)(C)C)C1=O
InChI=1SC31H31NO5S2c131(23)2311922(101223)29(34)372413620(71424)192728(33)32(30(38)3927)17162181525(354)26(1821)365h6151819H1617H215H3b2719
MFCD03462954
ZINC000097946954
ZINC97946954
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