Vitas-M small molecule compound
4-[(Z)-(3-{[(2-nitrophenyl)carbonyl]amino}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Catalog ID
STL035207
SMILES S=C1S/C(=C\c2ccc(cc2)C(=O)O)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[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 C18H11N3O6S2 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O6S2/c22-15(12-3-1-2-4-13(12)21(26)27)19-20-16(23)14(29-18(20)28)9-10-5-7-11(8-6-10)17(24)25/h1-9H,(H,19,22)(H,24,25)/b14-9-InChIKey
MTLOMBURWFELES-ZROIWOOFSA-NSynonyms
4((3((2NITROPHENYL)CARBONYLAMINO)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((Z)(3(((2nitrophenyl)carbonyl)amino)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoicacid
4((Z)(3((2NITROBENZOYL)AMINO)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
4((Z)(3((2NITROBENZOYL)AMINO)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOICACID
C1=CC=C(C(=C1)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)(N+)(=O)(O)
InChI=1SC18H11N3O6S2c2215(12312413(12)21(26)27)192016(23)14(2918(20)28)9105711(8610)17(24)25h19H(H1922)(H2425)b149
MFCD01164653
S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1NC(=O)c1ccccc1(N+)(=O)(O)
ZINC000001811475
ZINC1811475
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