Vitas-M small molecule compound
1-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK589889
SMILES COc1ccccc1NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)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 C31H28ClN3O2 MW 510.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2/c1-20-10-12-21(13-11-20)26-19-35-29(30(36)33-25-8-3-4-9-27(25)37-2)28(22-14-16-23(32)17-15-22)24-7-5-6-18-34(26)31(24)35/h3-4,8-17,19H,5-7,18H2,1-2H3,(H,33,36)InChIKey
KRBBWZLQXVJGPE-UHFFFAOYSA-NSynonyms
896168-38-01(4chlorophenyl)N(2methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
1(4chlorophenyl)N(2methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168380
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC=CC=C6OC
InChI=1SC31H28ClN3O2c120101221(131120)26193529(30(36)3325834927(25)372)28(22141623(32)171522)247561834(26)31(24)35h3481719H5718H212H3(H3336)
MFCD06604397
ZINC000002432023
ZINC02432023
ZINC2432023
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