Vitas-M small molecule compound
11-(4-ethoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403512
SMILES CCOc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)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 C28H28N2O2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2/c1-3-32-22-14-12-20(13-15-22)28-27-25(29-23-6-4-5-7-24(23)30-28)16-21(17-26(27)31)19-10-8-18(2)9-11-19/h4-15,21,28-30H,3,16-17H2,1-2H3InChIKey
PIKQHZQHWDYWOE-UHFFFAOYSA-NSynonyms
11(4ethoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4ethoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2
InChI=1SC28H28N2O2c133222141220(131522)282725(2923645724(23)3028)1621(1726(27)31)1910818(2)91119h415212830H31617H212H3
MFCD03489371
ZINC000001077626
ZINC000001077636
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