Vitas-M small molecule compound
1-[4-(4-chlorophenyl)-6-(difluoromethyl)pyrimidin-2-yl]azepane
Catalog ID
STL181111
SMILES Clc1ccc(cc1)c1cc(nc(n1)N1CCCCCC1)C(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 C17H18ClF2N3 MW 337.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClF2N3/c18-13-7-5-12(6-8-13)14-11-15(16(19)20)22-17(21-14)23-9-3-1-2-4-10-23/h5-8,11,16H,1-4,9-10H2InChIKey
XASUBGVDFFBYQE-UHFFFAOYSA-NSynonyms
1011393-50-21(4(4chlorophenyl)6(difluoromethyl)pyrimidin2yl)azepane
1011393502
C1CCCN(CC1)C2=NC(=CC(=N2)C(F)F)C3=CC=C(C=C3)Cl
InChI=1SC17H18ClF2N3c18137512(6813)141115(16(19)20)2217(2114)23931241023h581116H14910H2
MFCD10701387
ZINC000036618645
ZINC36618645
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