Vitas-M small molecule compound
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK063396
SMILES O=C1CC(C)(C)CC2=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 C36H42N2O3 MW 550.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N2O3/c1-34(2,3)24-16-23(17-25(33(24)41)35(4,5)6)31-30-28(19-36(7,8)20-29(30)39)37-27-18-22(14-15-26(27)38-31)32(40)21-12-10-9-11-13-21/h9-18,31,37-38,41H,19-20H2,1-8H3InChIKey
WJWYWIMJKJZWTI-UHFFFAOYSA-NSynonyms
11(35ditertbutyl4hydroxyphenyl)33dimethyl7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
2benzoyl6(35ditertbutyl4hydroxyphenyl)99dimethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C)C(=O)C1)C
InChI=1SC36H42N2O3c134(23)241623(1725(33(24)41)35(45)6)313028(1936(78)2029(30)39)37271822(141526(27)3831)32(40)2112109111321h91831373841H1920H218H3
MFCD08051641
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(cc1)C(=O)c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
STK063396
ZINC000098045051
ZINC000098045052
Check stock
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