Vitas-M small molecule compound
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK083378
SMILES O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)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 C34H38N2O3 MW 522.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O3/c1-33(2,3)23-17-22(18-24(32(23)39)34(4,5)6)30-29-26(13-10-14-28(29)37)35-27-19-21(15-16-25(27)36-30)31(38)20-11-8-7-9-12-20/h7-9,11-12,15-19,30,35-36,39H,10,13-14H2,1-6H3InChIKey
OTKXGLFDIDVGKX-UHFFFAOYSA-NSynonyms
11(35ditertbutyl4hydroxyphenyl)7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(35ditertbutyl4hydroxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=C(CCCC3=O)NC4=C(N2)C=CC(=C4)C(=O)C5=CC=CC=C5
InChI=1SC34H38N2O3c133(23)231722(1824(32(23)39)34(45)6)302926(13101428(29)37)35271921(151625(27)3630)31(38)20118791220h791112151930353639H101314H216H3
MFCD08679366
O=C1CCCC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
STK083378
ZINC000009678929
ZINC000009678930
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