Vitas-M small molecule compound
N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK593912
SMILES CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(c(c2)Cl)Cl)n2c3c1CCCCn3c(c2)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 C31H27Cl2N3O2 MW 544.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3O2/c1-2-38-23-14-11-21(12-15-23)28-24-10-6-7-17-35-27(20-8-4-3-5-9-20)19-36(31(24)35)29(28)30(37)34-22-13-16-25(32)26(33)18-22/h3-5,8-9,11-16,18-19H,2,6-7,10,17H2,1H3,(H,34,37)InChIKey
KYLLYTIXSMCESJ-UHFFFAOYSA-NSynonyms
896168-35-7896168357
CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC(=C(C=C6)Cl)Cl
InChI=1SC31H27Cl2N3O2c123823141121(121523)28241067173527(208435920)1936(31(24)35)29(28)30(37)3422131625(32)26(33)1822h358911161819H2671017H21H3(H3437)
MFCD06600394
N(34dichlorophenyl)1(4ethoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
ZINC000002224842
ZINC2224842
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