Vitas-M small molecule compound

4-({3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid

Catalog ID
STK994305
SMILES O=C(Nc1ccc(cc1)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(22-14-4-2-13(3-5-14)20(26)27)7-8-23-19(25)17(31-21(23)30)10-12-1-6-15-16(9-12)29-11-28-15/h1-6,9-10H,7-8,11H2,(H,22,24)(H,26,27)/b17-10-
InChIKey
UQYPEJMTAKTZIV-YVLHZVERSA-N
Synonyms

4((3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE3THIAZOLIDINYL)1OXOPROPYL)AMINO)BENZOICACID
4((3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
4(3((5Z)4KETO5PIPERONYLIDENE2THIOXOTHIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
4(3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXIDANYLIDENE2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
4(3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
4(3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
4(3(5BENZO(13)DIOXOL5YLMETHYLENE4OXO2THIOXOTHIAZOLIDIN3YL)PROPIONYLAMINO)BENZOICACID
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC21H16N2O6S2c2418(22144213(3514)20(26)27)782319(25)17(3121(23)30)1012161516(912)29112815h16910H7811H2(H2224)(H2627)b1710
MFCD02078549
O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000001767759
ZINC1767759

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Available files

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