Vitas-M small molecule compound
11-[4-(benzyloxy)-3-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK072227
SMILES COc1cc(ccc1OCc1ccccc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C35H34N2O5 MW 562.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O5/c1-39-30-15-13-23(19-32(30)40-2)25-17-28-34(29(38)18-25)35(37-27-12-8-7-11-26(27)36-28)24-14-16-31(33(20-24)41-3)42-21-22-9-5-4-6-10-22/h4-16,19-20,25,35-37H,17-18,21H2,1-3H3InChIKey
BSHFYTWAZOXKIQ-UHFFFAOYSA-NSynonyms
11(4(benzyloxy)3methoxyphenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(3methoxy4phenylmethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C(=O)C2)OC
COc1cc(ccc1OCc1ccccc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC35H34N2O5c13930151323(1932(30)402)25172834(29(38)1825)35(372712871126(27)3628)24141631(33(2024)413)42212295461022h4161920253537H171821H213H3
MFCD02104326
STK072227
ZINC000004082335
ZINC000004082346
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