Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK363849
SMILES CSc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc2c(c1)OCO2

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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 C27H24N2O3S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O3S/c1-33-19-9-6-16(7-10-19)27-26-22(28-20-4-2-3-5-21(20)29-27)12-18(13-23(26)30)17-8-11-24-25(14-17)32-15-31-24/h2-11,14,18,27-29H,12-13,15H2,1H3
InChIKey
NIVRUGCPUFLHMO-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)11(4(methylsulfanyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(13benzodioxol5yl)6(4methylsulfanylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CSC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6N2
InChI=1SC27H24N2O3Sc133199616(71019)272622(2820423521(20)2927)1218(1323(26)30)178112425(1417)32153124h21114182729H121315H21H3
MFCD01874775
ZINC000000709601
ZINC000000709604

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Available files

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