Vitas-M small molecule compound
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
Catalog ID
STK457190
SMILES S=C(Nc1ccccc1C(F)(F)F)NCc1ccc2c(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 C16H13F3N2O2S MW 354.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N2O2S/c17-16(18,19)11-3-1-2-4-12(11)21-15(24)20-8-10-5-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H2,20,21,24)InChIKey
UMIOWDXJCAQHSA-UHFFFAOYSA-NSynonyms
((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)((2(TRIFLUOROMETHYL)PHENYL)AMINO)METHANE1THIONE
1(13benzodioxol5ylmethyl)3(2(trifluoromethyl)phenyl)thiourea
C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3C(F)(F)F
InChI=1SC16H13F3N2O2Sc1716(1819)11312412(11)2115(24)20810561314(710)2392213h17H89H2(H2202124)
MFCD05618540
ZINC000002852863
ZINC02852863
ZINC2852863
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