Vitas-M small molecule compound
3-methyl-4-nitro-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK381256
SMILES S=C(NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])Nc1ccc(cc1)Cc1ccncc1
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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-14-12-17(4-7-19(14)25(27)28)20(26)24-21(29)23-18-5-2-15(3-6-18)13-16-8-10-22-11-9-16/h2-12H,13H2,1H3,(H2,23,24,26,29)InChIKey
MJVYCVQYLWCBSE-UHFFFAOYSA-NSynonyms
(3METHYL4NITROPHENYL)N(((4(4PYRIDYLMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
3methyl4nitroN((4(pyridin4ylmethyl)phenyl)carbamothioyl)benzamide
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)(N+)(=O)(O)
InChI=1SC21H18N4O3Sc1141217(4719(14)25(27)28)20(26)2421(29)23185215(3618)13168102211916h212H13H21H3(H223242629)
MFCD03648648
S=C(NC(=O)c1ccc(c(c1)C)(N+)(=O)(O))Nc1ccc(cc1)Cc1ccncc1
ZINC000004090464
ZINC04090464
ZINC4090464
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