Vitas-M small molecule compound

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

Catalog ID
STK079414
SMILES CSc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)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 C28H28N2O3S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3S/c1-32-25-13-10-18(16-26(25)33-2)19-14-23-27(24(31)15-19)28(17-8-11-20(34-3)12-9-17)30-22-7-5-4-6-21(22)29-23/h4-13,16,19,28-30H,14-15H2,1-3H3
InChIKey
YTUDGGDPIZUYGU-UHFFFAOYSA-N
Synonyms

3(34dimethoxyphenyl)11(4(methylsulfanyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(4METHYLTHIOPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(34dimethoxyphenyl)6(4methylsulfanylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)SC)C(=O)C2)OC
CSc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC28H28N2O3Sc13225131018(1626(25)332)19142327(24(31)1519)28(1781120(343)12917)3022754621(22)2923h41316192830H1415H213H3
MFCD01874813
STK079414
ZINC000000812858
ZINC000000812862

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Available files

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