Vitas-M small molecule compound
4-methoxy-N-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK355755
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1N1CCOCC1)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 C20H19F3N4O5S MW 484.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O5S/c1-31-17-5-2-12(10-16(17)27(29)30)18(28)25-19(33)24-14-11-13(20(21,22)23)3-4-15(14)26-6-8-32-9-7-26/h2-5,10-11H,6-9H2,1H3,(H2,24,25,28,33)InChIKey
OCJYAYBECRQYRK-UHFFFAOYSA-NSynonyms
638150-07-94methoxyN((2(morpholin4yl)5(trifluoromethyl)phenyl)carbamothioyl)3nitrobenzamide
4METHOXYN((2MORPHOLIN4YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
638150079
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
InChI=1SC20H19F3N4O5Sc131175212(1016(17)27(29)30)18(28)2519(33)24141113(20(2122)23)3415(14)2668329726h251011H69H21H3(H224252833)
MFCD03995401
ZINC000016227693
ZINC16227693
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