Vitas-M small molecule compound
methyl 4-{3-(4-tert-butylphenyl)-1-oxo-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Catalog ID
STK677938
SMILES COC(=O)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)/C=C/c1ccccc1)cccc2
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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 C40H38N2O4 MW 610.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38N2O4/c1-40(2,3)31-21-19-27(20-22-31)30-24-33-37(35(43)25-30)38(28-15-17-29(18-16-28)39(45)46-4)42(34-13-9-8-12-32(34)41-33)36(44)23-14-26-10-6-5-7-11-26/h5-23,30,38,41H,24-25H2,1-4H3/b23-14+InChIKey
DAYVAWMIUVUNQJ-OEAKJJBVSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C=CC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C(=O)C2
COC(=O)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C=Cc1ccccc1)cccc2
InChI=1SC40H38N2O4c140(23)31211927(202231)30243337(35(43)2530)38(28151729(181628)39(45)464)42(3413981232(34)4133)36(44)231426106571126h523303841H2425H214H3b2314+
methyl4(3(4tertbutylphenyl)1oxo10((2E)3phenylprop2enoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(4tertbutylphenyl)7oxo5((E)3phenylprop2enoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036111
ZINC000100109990
ZINC000100110002
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.