Vitas-M small molecule compound

11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK007542
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(C)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 C36H34N2O4 MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N2O4/c1-36(2)21-28-33(30(39)22-36)34(26-18-19-31(32(20-26)41-3)42-23-24-12-6-4-7-13-24)38(29-17-11-10-16-27(29)37-28)35(40)25-14-8-5-9-15-25/h4-20,34,37H,21-23H2,1-3H3
InChIKey
ADYVTBUUPUCTGB-UHFFFAOYSA-N
Synonyms
312621-85-5
10benzoyl11(4(benzyloxy)3methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4(benzyloxy)3methoxyphenyl)33dimethyl10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312621855
5benzoyl6(3methoxy4phenylmethoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C(=O)C1)C
COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(C)C
InChI=1SC36H34N2O4c136(2)212833(30(39)2236)34(26181931(32(2026)413)422324126471324)38(291711101627(29)3728)35(40)25148591525h4203437H2123H213H3
MFCD01921833
STK007542
ZINC000008443833
ZINC000008443834

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.