Vitas-M small molecule compound
N-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL089251
SMILES S=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)NC(=O)c1ccc2c(c1)OCCO2
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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 C21H20F3N3O4S MW 467.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O4S/c22-21(23,24)14-2-3-16(27-5-7-29-8-6-27)15(12-14)25-20(32)26-19(28)13-1-4-17-18(11-13)31-10-9-30-17/h1-4,11-12H,5-10H2,(H2,25,26,28,32)InChIKey
JVDKACFYUHCKQQ-UHFFFAOYSA-NSynonyms
C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC21H20F3N3O4Sc2221(2324)142316(2757298627)15(1214)2520(32)2619(28)13141718(1113)311093017h141112H510H2(H225262832)
MFCD06007195
N((2(morpholin4yl)5(trifluoromethyl)phenyl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N((2MORPHOLIN4YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
N(23DIHYDRO14BENZODIOXIN6YLCARBONYL)N(2(4MORPHOLINYL)5(TRIFLUOROMETHYL)PHENYL)THIOUREA
ZINC000001065972
ZINC01065972
ZINC1065972
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