Vitas-M small molecule compound
3-methoxy-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK398867
SMILES COc1cccc(c1)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 C20H20F3N3O2S MW 423.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O2S/c1-28-15-6-4-5-13(11-15)18(27)25-19(29)24-16-12-14(20(21,22)23)7-8-17(16)26-9-2-3-10-26/h4-8,11-12H,2-3,9-10H2,1H3,(H2,24,25,27,29)InChIKey
XIRFDLTZQLOHQO-UHFFFAOYSA-NSynonyms
3methoxyN((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)benzamide
3METHOXYN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
InChI=1SC20H20F3N3O2Sc1281564513(1115)18(27)2519(29)24161214(20(2122)23)7817(16)269231026h481112H23910H21H3(H224252729)
MFCD05849656
ZINC000001067933
ZINC01067933
ZINC1067933
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