Vitas-M small molecule compound
2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
Catalog ID
STL033053
SMILES O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1ncccc1C(=O)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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-12-16(18(25)23(22(12)2)13-7-4-3-5-8-13)21-15(24)11-28-17-14(19(26)27)9-6-10-20-17/h3-10H,11H2,1-2H3,(H,21,24)(H,26,27)InChIKey
IAXJYVZCPQCXPM-UHFFFAOYSA-NSynonyms
1011897-63-41011897634
2((2((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)amino)2oxoethyl)sulfanyl)pyridine3carboxylicacid
2((N(23DIMETHYL5OXO1PHENYL3PYRAZOLIN4YL)CARBAMOYL)METHYLTHIO)PYRIDINE3CARBOXYLICACID
2(2((15dimethyl3oxo2phenylpyrazol4yl)amino)2oxoethyl)sulfanylpyridine3carboxylicacid
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O
InChI=1SC19H18N4O4Sc11216(18(25)23(22(12)2)137435813)2115(24)11281714(19(26)27)96102017h310H11H212H3(H2124)(H2627)
MFCD10083511
ZINC000012172578
ZINC12172578
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