Vitas-M small molecule compound
4-{3-(4-methylphenyl)-1-oxo-11-[4-(propan-2-yloxy)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Catalog ID
STK677935
SMILES OC(=O)CCC(=O)N1C(c2ccc(cc2)OC(C)C)C2=C(Nc3c1cccc3)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 C33H34N2O5 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O5/c1-20(2)40-25-14-12-23(13-15-25)33-32-27(18-24(19-29(32)36)22-10-8-21(3)9-11-22)34-26-6-4-5-7-28(26)35(33)30(37)16-17-31(38)39/h4-15,20,24,33-34H,16-19H2,1-3H3,(H,38,39)InChIKey
RWAYGMISOWDGPF-UHFFFAOYSA-NSynonyms
4(11(4(METHYLETHOXY)PHENYL)3(4METHYLPHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4methylphenyl)1oxo11(4(propan2yloxy)phenyl)1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4methylphenyl)7oxo6(4propan2yloxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)OC(C)C)C(=O)C2
InChI=1SC33H34N2O5c120(2)4025141223(131525)333227(1824(1929(32)36)2210821(3)91122)3426645728(26)35(33)30(37)161731(38)39h41520243334H1619H213H3(H3839)
MFCD03036104
ZINC000000718127
ZINC000000718130
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