Vitas-M small molecule compound

1-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone

Catalog ID
STK997765
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)C)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 C25H23ClN2O2 MW 418.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O2/c1-16(29)24-23(18-6-10-19(26)11-7-18)21-5-3-4-14-27-22(15-28(24)25(21)27)17-8-12-20(30-2)13-9-17/h6-13,15H,3-5,14H2,1-2H3
InChIKey
IHLIHUJAMRIQQL-UHFFFAOYSA-N
Synonyms
487020-38-2
1(1(4chlorophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)ethanone
487020382
CC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl
InChI=1SC25H23ClN2O2c116(29)2423(1861019(26)11718)21534142722(1528(24)25(21)27)1781220(302)13917h61315H3514H212H3
ZINC02413759
ZINC2413759

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Available files

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