Vitas-M small molecule compound
3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide
Catalog ID
STK994326
SMILES O=C(Nc1ccccc1[N+](=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 C20H15N3O6S2 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O6S2/c24-18(21-13-3-1-2-4-14(13)23(26)27)7-8-22-19(25)17(31-20(22)30)10-12-5-6-15-16(9-12)29-11-28-15/h1-6,9-10H,7-8,11H2,(H,21,24)/b17-10-InChIKey
PQYCJMQKTKIYDO-YVLHZVERSA-NSynonyms
3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2NITROPHENYL)PROPANAMIDE
3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(2nitrophenyl)propanamide
3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2NITROPHENYL)PROPANAMIDE
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC20H15N3O6S2c2418(2113312414(13)23(26)27)782219(25)17(3120(22)30)1012561516(912)29112815h16910H7811H2(H2124)b1710
MFCD02078554
O=C(Nc1ccccc1(N+)(=O)(O))CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000009434109
ZINC09434109
ZINC9434109
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