Vitas-M small molecule compound

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

Catalog ID
STK080057
SMILES O=C1CC(C)(C)CC2=C1C(c1cccs1)N(C(=O)C)c1c(N2)cccc1

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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 C21H22N2O2S MW 366.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2S/c1-13(24)23-16-8-5-4-7-14(16)22-15-11-21(2,3)12-17(25)19(15)20(23)18-9-6-10-26-18/h4-10,20,22H,11-12H2,1-3H3
InChIKey
OZKXLHXSEGHPFG-UHFFFAOYSA-N
Synonyms
312621-59-3
10acetyl33dimethyl11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10ACETYL33DIMETHYL1OXO11(2THIENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPINE
312621593
5acetyl99dimethyl6thiophen2yl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CS4
InChI=1SC21H22N2O2Sc113(24)2316854714(16)22151121(23)1217(25)19(15)20(23)1896102618h4102022H1112H213H3
MFCD01210532
O=C1CC(C)(C)CC2=C1C(c1cccs1)N(C(=O)C)c1c(N2)cccc1
STK080057
ZINC000018136586
ZINC000018136588

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Available files

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