Vitas-M small molecule compound

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

Catalog ID
STK868273
SMILES O=C1CC(C)(C)CC2=C1C(c1cccs1)N(c1c(N2)cccc1)C(=O)C(F)(F)F

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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 C21H19F3N2O2S MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N2O2S/c1-20(2)10-13-17(15(27)11-20)18(16-8-5-9-29-16)26(19(28)21(22,23)24)14-7-4-3-6-12(14)25-13/h3-9,18,25H,10-11H2,1-2H3
InChIKey
ROXVWJFZVWYMHU-UHFFFAOYSA-N
Synonyms
353472-52-3
33dimethyl11(thiophen2yl)10(222trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(thiophen2yl)10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
353472523
99dimethyl6thiophen2yl5(222trifluoroacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=CS4)C(=O)C1)C
InChI=1SC21H19F3N2O2Sc120(2)101317(15(27)1120)18(168592916)26(19(28)21(2223)24)14743612(14)2513h391825H1011H212H3
MFCD01417211
ZINC000009045463
ZINC000009045467

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Available files

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