Vitas-M small molecule compound
methyl 4-{3-(4-methylphenyl)-1-oxo-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Catalog ID
STK677933
SMILES COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1cc(OC)c(c(c1)OC)OC)cccc3)CC(CC2=O)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 C38H36N2O7 MW 632.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N2O7/c1-22-10-12-23(13-11-22)26-18-29-34(31(41)19-26)35(24-14-16-25(17-15-24)38(43)47-5)40(30-9-7-6-8-28(30)39-29)37(42)27-20-32(44-2)36(46-4)33(21-27)45-3/h6-17,20-21,26,35,39H,18-19H2,1-5H3InChIKey
QHALWPNBLRJJLP-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=C(C=C6)C(=O)OC)C(=O)C2
InChI=1SC38H36N2O7c122101223(131122)26182934(31(41)1926)35(24141625(171524)38(43)475)40(30976828(30)3929)37(42)272032(442)36(464)33(2127)453h6172021263539H1819H215H3
methyl4(3(4methylphenyl)1oxo10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(4methylphenyl)7oxo5(345trimethoxybenzoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036100
ZINC000033354678
ZINC000033354684
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