Vitas-M small molecule compound
4-ethoxy-3-nitro-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251956
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C21H21F3N4O4S MW 482.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N4O4S/c1-2-32-18-8-5-13(11-17(18)28(30)31)19(29)26-20(33)25-15-12-14(21(22,23)24)6-7-16(15)27-9-3-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H2,25,26,29,33)InChIKey
JONIRKXZWCRDGR-UHFFFAOYSA-NSynonyms
(4ETHOXY3NITROPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
4ETHOXY3NITRON((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
4ETHOXY3NITRON((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F
InChI=1SC21H21F3N4O4Sc1232188513(1117(18)28(30)31)19(29)2620(33)25151214(21(2223)24)6716(15)279341027h581112H24910H21H3(H225262933)
MFCD03649959
ZINC000004109822
ZINC04109822
ZINC4109822
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