Vitas-M small molecule compound
methyl 4-(10-hexanoyl-1-hydroxy-3-phenyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Catalog ID
STK045939
SMILES CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1
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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 C33H34N2O4 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O4/c1-3-4-6-15-30(37)35-28-14-10-9-13-26(28)34-27-20-25(22-11-7-5-8-12-22)21-29(36)31(27)32(35)23-16-18-24(19-17-23)33(38)39-2/h5,7-14,16-19,25,32,36H,3-4,6,15,20-21H2,1-2H3InChIKey
XPXZBFGIKFTXKC-UHFFFAOYSA-NSynonyms
CCCCCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1
methyl4(10hexanoyl1hydroxy3phenyl341011tetrahydro2Hdibenzo(be)(14)diazepin11yl)benzoate
MFCD03032545
STK045939
ZINC000101434464
ZINC000101434468
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