Vitas-M small molecule compound
3-(4-fluorophenyl)-10-hexanoyl-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK094148
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)OC)C(=O)CC(C2)c1ccc(cc1)F
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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 C32H33FN2O3 MW 512.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33FN2O3/c1-3-4-5-13-30(37)35-28-12-7-6-11-26(28)34-27-19-23(21-14-16-24(33)17-15-21)20-29(36)31(27)32(35)22-9-8-10-25(18-22)38-2/h6-12,14-18,23,32,34H,3-5,13,19-20H2,1-2H3InChIKey
MLSJSZFTSVEINR-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)10hexanoyl11(3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4fluorophenyl)5hexanoyl6(3methoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC(=CC=C5)OC
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)OC)C(=O)CC(C2)c1ccc(cc1)F
InChI=1SC32H33FN2O3c13451330(37)352812761126(28)34271923(21141624(33)171521)2029(36)31(27)32(35)22981025(1822)382h6121418233234H35131920H212H3
MFCD02375499
STK094148
ZINC000018142923
ZINC000018142930
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