Vitas-M small molecule compound
ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate
Catalog ID
STK457557
SMILES CCOC(=O)c1cc(sc1NC(=S)NNC(=O)C(n1nc(c(c1)[N+](=O)[O-])OC)C)c1ccccc1
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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 C21H22N6O6S2 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O6S2/c1-4-33-20(29)14-10-16(13-8-6-5-7-9-13)35-19(14)22-21(34)24-23-17(28)12(2)26-11-15(27(30)31)18(25-26)32-3/h5-12H,4H2,1-3H3,(H,23,28)(H2,22,24,34)InChIKey
BDSNNMXWCCSDGC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)(N+)(=O)(O)
CCOC(=O)c1cc(sc1NC(=S)NNC(=O)C(n1nc(c(c1)(N+)(=O)(O))OC)C)c1ccccc1
ETHYL2((((2(3METHOXY4NITROPYRAZOLYL)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((2(2(3methoxy4nitro1Hpyrazol1yl)propanoyl)hydrazinyl)carbonothioyl)amino)5phenylthiophene3carboxylate
ETHYL2((2(3METHOXY4NITROPYRAZOL1YL)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H22N6O6S2c143320(29)141016(138657913)3519(14)2221(34)242317(28)12(2)261115(27(30)31)18(2526)323h512H4H213H3(H2328)(H2222434)
MFCD05076158
ZINC000016347243
ZINC000016347246
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