Vitas-M small molecule compound

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

Catalog ID
STK666923
SMILES CCCCCC(=O)N1C(c2ccc(cc2)OC)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccccc1OCCC

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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(27-12-8-11-15-32(27)41-21-5-2)23-31(38)34(29)35(37)24-17-19-26(40-3)20-18-24/h8-15,17-20,25,35-36H,4-7,16,21-23H2,1-3H3
InChIKey
PVFPRHNXQAMJFF-UHFFFAOYSA-N
Synonyms
354539-42-7
10hexanoyl11(4methoxyphenyl)3(2propoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
354539427
5hexanoyl6(4methoxyphenyl)9(2propoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3OCCC)NC4=CC=CC=C41)C5=CC=C(C=C5)OC
InChI=1SC35H40N2O4c14671633(39)3730141091328(30)36292225(27128111532(27)412152)2331(38)34(29)35(37)24171926(403)201824h8151720253536H47162123H213H3
MFCD01944415
ZINC000008445117
ZINC000008445120

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Available files

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