Vitas-M small molecule compound
3,4,5-triethoxy-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK016405
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccccc1C(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 C21H23F3N2O4S MW 456.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N2O4S/c1-4-28-16-11-13(12-17(29-5-2)18(16)30-6-3)19(27)26-20(31)25-15-10-8-7-9-14(15)21(22,23)24/h7-12H,4-6H2,1-3H3,(H2,25,26,27,31)InChIKey
QRKPCTNWGMFYSQ-UHFFFAOYSA-NSynonyms
345TRIETHOXYN((2(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccccc1C(F)(F)F
InChI=1SC21H23F3N2O4Sc1428161113(1217(2952)18(16)3063)19(27)2620(31)25151087914(15)21(2223)24h712H46H213H3(H225262731)
MFCD02630293
STK016405
ZINC000001172241
ZINC01172241
ZINC1172241
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