Vitas-M small molecule compound
4-{11-[4-(diethylamino)phenyl]-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Catalog ID
STL438733
SMILES CCN(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2c(N1C(=O)CCC(=O)O)cccc2)CC
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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 C35H39N3O6 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O6/c1-5-37(6-2)25-14-11-22(12-15-25)35-34-27(19-24(20-29(34)39)23-13-16-30(43-3)31(21-23)44-4)36-26-9-7-8-10-28(26)38(35)32(40)17-18-33(41)42/h7-16,21,24,35-36H,5-6,17-20H2,1-4H3,(H,41,42)InChIKey
IPCJTAUIHNCYMX-UHFFFAOYSA-NSynonyms
4(11(4(diethylamino)phenyl)3(34dimethoxyphenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(6(4(diethylamino)phenyl)9(34dimethoxyphenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2C(=O)CCC(=O)O
InChI=1SC35H39N3O6c1537(62)25141122(121525)353427(1924(2029(34)39)23131630(433)31(2123)444)36269781028(26)38(35)32(40)171833(41)42h71621243536H561720H214H3(H4142)
MFCD06244660
ZINC000001409579
ZINC000072189137
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