Vitas-M small molecule compound
N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK347587
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc2c(c1)OCO2
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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 C20H18F3N3O3S MW 437.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O3S/c21-20(22,23)13-4-5-15(26-7-1-2-8-26)14(10-13)24-19(30)25-18(27)12-3-6-16-17(9-12)29-11-28-16/h3-6,9-10H,1-2,7-8,11H2,(H2,24,25,27,30)InChIKey
PCQGIGRHAZLIBV-UHFFFAOYSA-NSynonyms
1(BENZO(13)DIOXOLE5CARBONYL)3(2PYRROLIDIN1YL5TRIFLUOROMETHYLPHENYL)THIOUREA
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H18F3N3O3Sc2120(2223)134515(26712826)14(1013)2419(30)2518(27)12361617(912)29112816h36910H127811H2(H224252730)
MFCD05992077
N((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)13benzodioxole5carboxamide
N((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000002859485
ZINC02859485
ZINC2859485
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