Vitas-M small molecule compound
(5E)-3-(3-chloro-4-methoxyphenyl)-5-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK244835
SMILES COc1ccc(cc1Cl)N1C(=S)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])Sc2ccc(cc2)Cl)/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 C23H14Cl2N2O4S3 MW 549.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14Cl2N2O4S3/c1-31-19-8-5-15(12-17(19)25)26-22(28)21(34-23(26)32)11-13-2-9-20(18(10-13)27(29)30)33-16-6-3-14(24)4-7-16/h2-12H,1H3/b21-11+InChIKey
LWMMXNRXYMUAIQ-SRZZPIQSSA-NSynonyms
(5E)3(3CHLORO4METHOXYPHENYL)5((4(4CHLOROPHENYL)SULFANYL3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(3CHLORO4METHOXYPHENYL)5(4((4CHLOROPHENYL)SULFANYL)3NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)(N+)(=O)(O))SC2=S)Cl
COc1ccc(cc1Cl)N1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))Sc2ccc(cc2)Cl)C1=O
InChI=1SC23H14Cl2N2O4S3c131198515(1217(19)25)2622(28)21(3423(26)32)11132920(18(1013)27(29)30)33166314(24)4716h212H1H3b2111+
MFCD03614189
ZINC000100327378
ZINC100327378
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