Vitas-M small molecule compound
4-[(E)-(3-{[(4-methylphenyl)carbonyl]amino}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK809188
SMILES Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C/c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/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 C25H17N3O6S2 MW 519.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O6S2/c1-15-5-9-17(10-6-15)22(29)26-27-23(30)21(36-25(27)35)13-16-7-11-20(12-8-16)34-24(31)18-3-2-4-19(14-18)28(32)33/h2-14H,1H3,(H,26,29)/b21-13+InChIKey
WSGDBXDNTDLCBR-FYJGNVAPSA-NSynonyms
(4((E)(3((4METHYLBENZOYL)AMINO)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
4((E)(3(((4methylphenyl)carbonyl)amino)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))SC2=S
Cc1ccc(cc1)C(=O)NN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC25H17N3O6S2c1155917(10615)22(29)262723(30)21(3625(27)35)131671120(12816)3424(31)1832419(1418)28(32)33h214H1H3(H2629)b2113+
MFCD03461247
ZINC000100833483
ZINC100833483
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