Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
Catalog ID
STK821740
SMILES COc1cc(ccc1OC(=O)c1sc2c(c1Cl)ccc(c2)C)/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
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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 C31H26ClNO6S3 MW 640.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClNO6S3/c1-17-5-8-20-25(13-17)41-28(27(20)32)30(35)39-22-10-7-19(15-24(22)38-4)16-26-29(34)33(31(40)42-26)12-11-18-6-9-21(36-2)23(14-18)37-3/h5-10,13-16H,11-12H2,1-4H3/b26-16-InChIKey
ZSAYBWUWSZSYIK-QQXSKIMKSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)3chloro6methyl1benzothiophene2carboxylate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3chloro6methyl1benzothiophene2carboxylate
CC1=CC2=C(C=C1)C(=C(S2)C(=O)OC3=C(C=C(C=C3)C=C4C(=O)N(C(=S)S4)CCC5=CC(=C(C=C5)OC)OC)OC)Cl
COc1cc(ccc1OC(=O)c1sc2c(c1Cl)ccc(c2)C)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
InChI=1SC31H26ClNO6S3c117582025(1317)4128(27(20)32)30(35)392210719(1524(22)384)162629(34)33(31(40)4226)1211186921(362)23(1418)373h5101316H1112H214H3b2616
MFCD03462981
ZINC000097946968
ZINC97946968
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