Vitas-M small molecule compound
4-(4-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK599271
SMILES COc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)F)CCCC3)c1ccc(cc1)Cl
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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 C30H25ClFN3O2 MW 514.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClFN3O2/c1-37-24-6-4-5-23(17-24)33-29(36)28-27(20-10-14-22(32)15-11-20)25-7-2-3-16-34-26(18-35(28)30(25)34)19-8-12-21(31)13-9-19/h4-6,8-15,17-18H,2-3,7,16H2,1H3,(H,33,36)InChIKey
JTKAVYGXEWHBSI-UHFFFAOYSA-NSynonyms
862488-93-54(4chlorophenyl)1(4fluorophenyl)N(3methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
862488935
COC1=CC=CC(=C1)NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)F
InChI=1SC30H25ClFN3O2c1372464523(1724)3329(36)2827(20101422(32)151120)25723163426(1835(28)30(25)34)1981221(31)13919h468151718H23716H21H3(H3336)
MFCD05699333
ZINC000009344649
ZINC09344649
ZINC9344649
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