Vitas-M small molecule compound
3-({3-[(5Z)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid
Catalog ID
STL035356
SMILES O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)S/C(=C\c2cccc(c2)Br)/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 C20H15BrN2O4S2 MW 491.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4S2/c21-14-5-1-3-12(9-14)10-16-18(25)23(20(28)29-16)8-7-17(24)22-15-6-2-4-13(11-15)19(26)27/h1-6,9-11H,7-8H2,(H,22,24)(H,26,27)/b16-10-InChIKey
ZOWJNTFPIXAIOZ-YBEGLDIGSA-NSynonyms
3((3((5Z)5(3bromobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
3(3((5Z)5((3BROMOPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
3(3(5((3BROMOPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
C1=CC(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC20H15BrN2O4S2c211451312(914)101618(25)23(20(28)2916)8717(24)221562413(1115)19(26)27h16911H78H2(H2224)(H2627)b1610
MFCD04971560
O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)SC(=Cc2cccc(c2)Br)C1=O
ZINC000001239506
ZINC1239506
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