Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)-1H-benzimidazole-6-carboxamide

Catalog ID
STK633826
SMILES O=C(c1ccc2c(c1)[nH]c(n2)C(F)(F)F)Nc1ccc2c(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 C17H12F3N3O3 MW 363.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-11-3-1-9(7-12(11)23-16)15(24)21-10-2-4-13-14(8-10)26-6-5-25-13/h1-4,7-8H,5-6H2,(H,21,24)(H,22,23)
InChIKey
TWENYMDCFWDMGP-UHFFFAOYSA-N
Synonyms
951999-88-5
951999885
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)(F)F
InChI=1SC17H12F3N3O3c1817(1920)162211319(712(11)2316)15(24)2110241314(810)26652513h1478H56H2(H2124)(H2223)
MFCD18160217
N(23dihydro14benzodioxin6yl)2(trifluoromethyl)1Hbenzimidazole6carboxamide
N(23dihydro14benzodioxin6yl)2(trifluoromethyl)3Hbenzimidazole5carboxamide
N(23dihydrobenzo(b)(14)dioxin6yl)2(trifluoromethyl)1Hbenzo(d)imidazole5carboxamide
O=C(c1ccc2c(c1)(nH)c(n2)C(F)(F)F)Nc1ccc2c(c1)OCCO2
O=C(c1ccc2c(c1)nc((nH)2)C(F)(F)F)Nc1ccc2c(c1)OCCO2
ZINC000013688808
ZINC13688808

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.