Vitas-M small molecule compound
4-[11-(3-fluorophenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Catalog ID
STL023743
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)C(=O)CCC(=O)O
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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 C32H31FN2O7 MW 574.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31FN2O7/c1-40-26-16-20(17-27(41-2)32(26)42-3)19-14-23-30(25(36)15-19)31(18-7-6-8-21(33)13-18)35(28(37)11-12-29(38)39)24-10-5-4-9-22(24)34-23/h4-10,13,16-17,19,31,34H,11-12,14-15H2,1-3H3,(H,38,39)InChIKey
ATWFLZVWWLZNAF-UHFFFAOYSA-NSynonyms
4(11(3fluorophenyl)1oxo3(345trimethoxyphenyl)1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(11(3fluorophenyl)1oxo3(345trimethoxyphenyl)34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)4oxobutanoicacid
4(6(3fluorophenyl)7oxo9(345trimethoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC(=CC=C5)F)C(=O)C2
InChI=1SC32H31FN2O7c140261620(1727(412)32(26)423)19142330(25(36)1519)31(1876821(33)1318)35(28(37)111229(38)39)241054922(24)3423h410131617193134H11121415H213H3(H3839)
MFCD02242013
ZINC000000985931
ZINC000008432429
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