Vitas-M small molecule compound
3-methyl-4-nitro-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251954
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(c(c1)C)[N+](=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 C20H19F3N4O3S MW 452.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O3S/c1-12-10-13(4-6-16(12)27(29)30)18(28)25-19(31)24-15-11-14(20(21,22)23)5-7-17(15)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3,(H2,24,25,28,31)InChIKey
LRYXTJLVPIKUMM-UHFFFAOYSA-NSynonyms
(3METHYL4NITROPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
3METHYL4NITRON((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
3METHYL4NITRON((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)(N+)(=O)(O)
InChI=1SC20H19F3N4O3Sc1121013(4616(12)27(29)30)18(28)2519(31)24151114(20(2122)23)5717(15)26823926h471011H2389H21H3(H224252831)
MFCD03649980
S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000001312492
ZINC01312492
ZINC1312492
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Check stock on Vitas-MAvailable files
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