Vitas-M small molecule compound

10-hexanoyl-3-(4-methoxyphenyl)-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL172248
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1OCCC)C(=O)CC(C2)c1ccc(cc1)OC

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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 C35H40N2O4 MW 552.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O4/c1-4-6-7-16-33(39)37-30-14-10-9-13-28(30)36-29-22-25(24-17-19-26(40-3)20-18-24)23-31(38)34(29)35(37)27-12-8-11-15-32(27)41-21-5-2/h8-15,17-20,25,35-36H,4-7,16,21-23H2,1-3H3
InChIKey
YRAMIVRCEXKZOZ-UHFFFAOYSA-N
Synonyms
438476-53-0
10hexanoyl3(4methoxyphenyl)11(2propoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438476530
5hexanoyl9(4methoxyphenyl)6(2propoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC4=CC=CC=C41)C5=CC=CC=C5OCCC
InChI=1SC35H40N2O4c14671633(39)3730141091328(30)36292225(24171926(403)201824)2331(38)34(29)35(37)27128111532(27)412152h8151720253536H47162123H213H3
MFCD01922845
ZINC000008444094
ZINC000008444098

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Available files

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