Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
Catalog ID
STK821742
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3sc4c(c3Cl)ccc(c4)C)/C2=O)ccc1OC
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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 C30H24ClNO5S3 MW 610.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClNO5S3/c1-17-4-10-21-24(14-17)39-27(26(21)31)29(34)37-20-8-5-18(6-9-20)16-25-28(33)32(30(38)40-25)13-12-19-7-11-22(35-2)23(15-19)36-3/h4-11,14-16H,12-13H2,1-3H3/b25-16-InChIKey
HIHNTCVXDPHVHI-XYGWBWBKSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3chloro6methyl1benzothiophene2carboxylate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3chloro6methyl1benzothiophene2carboxylate
CC1=CC2=C(C=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C=C4C(=O)N(C(=S)S4)CCC5=CC(=C(C=C5)OC)OC)Cl
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(=O)c3sc4c(c3Cl)ccc(c4)C)C2=O)ccc1OC
InChI=1SC30H24ClNO5S3c1174102124(1417)3927(26(21)31)29(34)37208518(6920)162528(33)32(30(38)4025)13121971122(352)23(1519)363h4111416H1213H213H3b2516
MFCD03462982
ZINC000097946970
ZINC97946970
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