Vitas-M small molecule compound
3-({3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid
Catalog ID
STK994304
SMILES O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/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 C21H16N2O6S2 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O6S2/c24-18(22-14-3-1-2-13(10-14)20(26)27)6-7-23-19(25)17(31-21(23)30)9-12-4-5-15-16(8-12)29-11-28-15/h1-5,8-10H,6-7,11H2,(H,22,24)(H,26,27)/b17-9-InChIKey
ADDVYGKGQOBLPI-MFOYZWKCSA-NSynonyms
3((3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE3THIAZOLIDINYL)1OXOPROPYL)AMINO)BENZOICACID
3((3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
3(3((5Z)4KETO5PIPERONYLIDENE2THIOXOTHIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
3(3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXIDANYLIDENE2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
3(3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
3(3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
3(3(5BENZO(13)DIOXOL5YLMETHYLENE4OXO2THIOXOTHIAZOLIDIN3YL)PROPIONYLAMINO)BENZOICACID
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC=CC(=C4)C(=O)O
InChI=1SC21H16N2O6S2c2418(221431213(1014)20(26)27)672319(25)17(3121(23)30)912451516(812)29112815h15810H6711H2(H2224)(H2627)b179
MFCD02078551
O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000001767771
ZINC1767771
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