Vitas-M small molecule compound
4-(4-fluorophenyl)-N-(4-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Catalog ID
STK679996
SMILES Fc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)nc3COc1cc(C)ccc1C(C)C
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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 C34H35FN4O2 MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35FN4O2/c1-21(2)27-17-10-23(4)19-29(27)41-20-30-37-39-32(33(40)36-26-15-8-22(3)9-16-26)31(24-11-13-25(35)14-12-24)28-7-5-6-18-38(30)34(28)39/h8-17,19,21H,5-7,18,20H2,1-4H3,(H,36,40)InChIKey
FFQMXTZZEAIJAP-UHFFFAOYSA-NSynonyms
4(4fluorophenyl)N(4methylphenyl)1((5methyl2(propan2yl)phenoxy)methyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carboxamide
CC1=CC=C(C=C1)NC(=O)C2=C(C3=C4N2N=C(N4CCCC3)COC5=C(C=CC(=C5)C)C(C)C)C6=CC=C(C=C6)F
InChI=1SC34H35FN4O2c121(2)27171023(4)1929(27)412030373932(33(40)362615822(3)91626)31(24111325(35)141224)287561838(30)34(28)39h8171921H571820H214H3(H3640)
MFCD03494022
ZINC000098005127
ZINC98005127
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