Vitas-M small molecule compound
4-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK595886
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccccc1
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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 C31H29N3O2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2/c1-21-9-8-12-24(19-21)32-30(35)29-28(23-10-4-3-5-11-23)26-13-6-7-18-33-27(20-34(29)31(26)33)22-14-16-25(36-2)17-15-22/h3-5,8-12,14-17,19-20H,6-7,13,18H2,1-2H3,(H,32,35)InChIKey
XVTHZQWVXUIBTG-UHFFFAOYSA-NSynonyms
896167-59-24(4methoxyphenyl)1phenylN(mtolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
4(4methoxyphenyl)N(3methylphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896167592
CC1=CC(=CC=C1)NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI=1SC31H29N3O2c121981224(1921)3230(35)2928(23104351123)261367183327(2034(29)31(26)33)22141625(362)171522h3581214171920H671318H212H3(H3235)
MFCD06610986
ZINC000002352330
ZINC02352330
ZINC2352330
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