Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(6-methyl-4-oxo-4H-chromen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK004522
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1coc2c(c1=O)cc(cc2)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 C31H28N2O5 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5/c1-17-8-10-26-20(12-17)31(35)21(16-38-26)30-29-24(32-22-6-4-5-7-23(22)33-30)13-19(14-25(29)34)18-9-11-27(36-2)28(15-18)37-3/h4-12,15-16,19,30,32-33H,13-14H2,1-3H3InChIKey
TVRHUWSWNHNJLE-UHFFFAOYSA-NSynonyms
3(3(34DIMETHOXYPHENYL)1OXO(234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL))6METHYLCHROMEN4ONE
3(34dimethoxyphenyl)11(6methyl4oxo4Hchromen3yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(6methyl4oxochromen3yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC(=C(C=C5)OC)OC)NC6=CC=CC=C6N3
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1coc2c(c1=O)cc(cc2)C
InChI=1SC31H28N2O5c1178102620(1217)31(35)21(163826)302924(3222645723(22)3330)1319(1425(29)34)1891127(362)28(1518)373h412151619303233H1314H213H3
MFCD02104498
STK004522
ZINC000001087524
ZINC000001087527
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