Vitas-M small molecule compound
methyl 4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Catalog ID
STK377614
SMILES COC(=O)c1ccc(cc1)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
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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 C25H28N2O3 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3/c1-14-10-18-19(11-15(14)2)27-23(16-6-8-17(9-7-16)24(29)30-5)22-20(26-18)12-25(3,4)13-21(22)28/h6-11,23,26-27H,12-13H2,1-5H3InChIKey
WQQQCGKAADEQTM-UHFFFAOYSA-NSynonyms
330958-12-8330958128
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)C(=O)OC)C(=O)CC(C3)(C)C
InChI=1SC25H28N2O3c114101819(1115(14)2)2723(166817(9716)24(29)305)2220(2618)1225(34)1321(22)28h611232627H1213H215H3
methyl4(2399tetramethyl7oxo681011tetrahydro5Hbenzo(b)(14)benzodiazepin6yl)benzoate
methyl4(3378tetramethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
MFCD01655326
ZINC000000631010
ZINC000000631012
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