Vitas-M small molecule compound
1-{11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
Catalog ID
STK040796
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1ccccc1OC(CC)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 C37H44N2O5 MW 596.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N2O5/c1-6-8-9-18-35(41)39-30-16-12-11-15-28(30)38-29-21-26(25-19-20-33(42-4)34(23-25)43-5)22-31(40)36(29)37(39)27-14-10-13-17-32(27)44-24(3)7-2/h10-17,19-20,23-24,26,37,40H,6-9,18,21-22H2,1-5H3InChIKey
DHJWEZGWCLEEJH-UHFFFAOYSA-NSynonyms
1(11(2(butan2yloxy)phenyl)3(34dimethoxyphenyl)1hydroxy23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
1(11(2(secbutoxy)phenyl)3(34dimethoxyphenyl)1hydroxy34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)hexan1one
CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1ccccc1OC(CC)C
MFCD03194765
STK040796
ZINC000100426575
ZINC000102661334
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