Vitas-M small molecule compound

4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

Catalog ID
STK582089
SMILES COc1ccccc1NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)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 C31H28ClN3O2 MW 510.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2/c1-20-10-12-22(13-11-20)28-24-7-5-6-18-34-26(21-14-16-23(32)17-15-21)19-35(31(24)34)29(28)30(36)33-25-8-3-4-9-27(25)37-2/h3-4,8-17,19H,5-7,18H2,1-2H3,(H,33,36)
InChIKey
BTLIRXYQHMJWMC-UHFFFAOYSA-N
Synonyms
896168-76-6
4(4chlorophenyl)N(2methoxyphenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
4(4chlorophenyl)N(2methoxyphenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168766
CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC=CC=C6OC
InChI=1SC31H28ClN3O2c120101222(131120)2824756183426(21141623(32)171521)1935(31(24)34)29(28)30(36)3325834927(25)372h3481719H5718H212H3(H3336)
MFCD06606292
ZINC000002327896
ZINC02327896
ZINC2327896

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Available files

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