Vitas-M small molecule compound
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK574770
SMILES COc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)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/c1-20-9-11-21(12-10-20)27-19-35-29(30(36)33-24-6-5-7-25(18-24)37-2)28(22-13-15-23(32)16-14-22)26-8-3-4-17-34(27)31(26)35/h5-7,9-16,18-19H,3-4,8,17H2,1-2H3,(H,33,36)InChIKey
MWOKUJPWYPUETR-UHFFFAOYSA-NSynonyms
896167-11-61(4chlorophenyl)N(3methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
1(4chlorophenyl)N(3methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896167116
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC(=CC=C6)OC
InChI=1SC31H28ClN3O2c12091121(121020)27193529(30(36)332465725(1824)372)28(22131523(32)161422)268341734(27)31(26)35h579161819H34817H212H3(H3336)
MFCD06605187
ZINC000002323784
ZINC02323784
ZINC2323784
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