Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
Catalog ID
STK459829
SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc2c(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 C15H10ClF3N2O3 MW 358.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClF3N2O3/c16-11-3-1-8(5-10(11)15(17,18)19)20-14(22)21-9-2-4-12-13(6-9)24-7-23-12/h1-6H,7H2,(H2,20,21,22)InChIKey
KXTYRLGXEPTVSX-UHFFFAOYSA-NSynonyms
(2HBENZO(34D)13DIOXOLAN5YLAMINO)N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)CARBOXAMIDE
1(13benzodioxol5yl)3(4chloro3(trifluoromethyl)phenyl)urea
C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI=1SC15H10ClF3N2O3c1611318(510(11)15(1718)19)2014(22)219241213(69)2472312h16H7H2(H2202122)
MFCD04284824
ZINC000002853357
ZINC02853357
ZINC2853357
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