Vitas-M small molecule compound
4-methoxy-3-nitro-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK255297
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-29-19-7-4-16(13-18(19)25(27)28)20(26)24-21(30)23-17-5-2-14(3-6-17)12-15-8-10-22-11-9-15/h2-11,13H,12H2,1H3,(H2,23,24,26,30)InChIKey
JAPDHGLXGCMZLG-UHFFFAOYSA-NSynonyms
4methoxy3nitroN((4(pyridin4ylmethyl)phenyl)carbamothioyl)benzamide
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)Cc1ccncc1
InChI=1SC21H18N4O4Sc129197416(1318(19)25(27)28)20(26)2421(30)23175214(3617)12158102211915h21113H12H21H3(H223242630)
MFCD02810855
ZINC000009355147
ZINC09355147
ZINC9355147
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