Vitas-M small molecule compound

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

Catalog ID
STK045222
SMILES CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)C)cccc2

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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 C22H22N2O2S MW 378.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O2S/c1-14(25)24-19-8-4-3-6-17(19)23-18-7-5-9-20(26)21(18)22(24)15-10-12-16(27-2)13-11-15/h3-4,6,8,10-13,22-23H,5,7,9H2,1-2H3
InChIKey
LPSZKJAWZSWYRM-UHFFFAOYSA-N
Synonyms

10acetyl11(4(methylsulfanyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl6(4methylsulfanylphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)SC
CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)C)cccc2
InChI=1SC22H22N2O2Sc114(25)2419843617(19)231875920(26)21(18)22(24)15101216(272)131115h346810132223H579H212H3
MFCD02917439
STK045222
ZINC000005103180
ZINC000005103182

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Available files

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