Vitas-M small molecule compound
4-{3-(4-tert-butylphenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Catalog ID
STK042117
SMILES COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccc(cc1)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 C35H36N2O6 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O6/c1-35(2,3)25-15-13-21(14-16-25)24-19-27-32(29(38)20-24)33(22-9-11-23(12-10-22)34(42)43-4)37(30(39)17-18-31(40)41)28-8-6-5-7-26(28)36-27/h5-16,24,33,38H,17-20H2,1-4H3,(H,40,41)InChIKey
GVJOJFVBRJNPHD-UHFFFAOYSA-NSynonyms
4(3(4tertbutylphenyl)1hydroxy11(4(methoxycarbonyl)phenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccc(cc1)C(C)(C)C
MFCD03161583
STK042117
ZINC000101429036
ZINC000101429041
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