Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL446456
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)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 C24H21F3N2O4 MW 458.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N2O4/c1-23(2)10-15-20(17(30)11-23)21(13-7-8-18-19(9-13)33-12-32-18)29(22(31)24(25,26)27)16-6-4-3-5-14(16)28-15/h3-9,21,28H,10-12H2,1-2H3InChIKey
ICCZXIFLCSJLMY-UHFFFAOYSA-NSynonyms
329212-79-511(13benzodioxol5yl)33dimethyl10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(2HBENZO(34D)13DIOXOLAN5YL)33DIMETHYL10(222TRIFLUOROACETYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
329212795
6(13benzodioxol5yl)99dimethyl5(222trifluoroacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC24H21F3N2O4c123(2)101520(17(30)1123)21(13781819(913)33123218)29(22(31)24(2526)27)16643514(16)2815h392128H1012H212H3
MFCD01210625
ZINC000001001004
ZINC000001001005
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