Vitas-M small molecule compound
2-[({2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5-dimethylthiophene-3-carboxamide
Catalog ID
STK307961
SMILES O=C(c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1sc(c(c1C(=O)N)C)C
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-10-13(4)30-20(16(10)18(21)26)22-19(27)15-8-6-5-7-14(15)9-24-12(3)17(25(28)29)11(2)23-24/h5-8H,9H2,1-4H3,(H2,21,26)(H,22,27)InChIKey
XVUASWFVSLVAIX-UHFFFAOYSA-NSynonyms
1005652-58-31005652583
2(((2((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)45dimethylthiophene3carboxamide
2((2((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)45dimethylthiophene3carboxamide
CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
InChI=1SC20H21N5O4Sc11013(4)3020(16(10)18(21)26)2219(27)15865714(15)92412(3)17(25(28)29)11(2)2324h58H9H214H3(H22126)(H2227)
MFCD04131479
O=C(c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1sc(c(c1C(=O)N)C)C
ZINC000002794765
ZINC02794765
ZINC2794765
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