Vitas-M small molecule compound
2-methyl-3-nitro-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK294941
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc(ccc1N1CCCC1)C(F)(F)F
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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 C20H19F3N4O3S MW 452.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O3S/c1-12-14(5-4-6-16(12)27(29)30)18(28)25-19(31)24-15-11-13(20(21,22)23)7-8-17(15)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,24,25,28,31)InChIKey
IMHXJAQGJPSHRR-UHFFFAOYSA-NSynonyms
2methyl3nitroN((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)benzamide
2METHYL3NITRON((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
InChI=1SC20H19F3N4O3Sc11214(54616(12)27(29)30)18(28)2519(31)24151113(20(2122)23)7817(15)269231026h4811H23910H21H3(H224252831)
MFCD06628415
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc(ccc1N1CCCC1)C(F)(F)F
ZINC000002881483
ZINC02881483
ZINC2881483
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