Vitas-M small molecule compound
3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677992
SMILES COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(cc1)C(C)(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 C39H39FN2O5 MW 634.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H39FN2O5/c1-39(2,3)27-15-11-23(12-16-27)25-19-30-35(32(43)20-25)36(24-13-17-28(40)18-14-24)42(31-10-8-7-9-29(31)41-30)38(44)26-21-33(45-4)37(47-6)34(22-26)46-5/h7-18,21-22,25,36,41H,19-20H2,1-6H3InChIKey
BGHHKUPZFVNSFJ-UHFFFAOYSA-NSynonyms
3(4tertbutylphenyl)11(4fluorophenyl)10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(4fluorophenyl)5(345trimethoxybenzoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=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)F)C(=O)C2
InChI=1SC39H39FN2O5c139(23)27151123(121627)25193035(32(43)2025)36(24131728(40)181424)42(311087929(31)4130)38(44)262133(454)37(476)34(2226)465h7182122253641H1920H216H3
MFCD03036192
ZINC000098003666
ZINC000098003669
Check stock
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Check stock on Vitas-MAvailable files
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