Vitas-M small molecule compound
3-[1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Catalog ID
STL152413
SMILES COc1cc2CN(CCc2cc1OC)C(=O)C(n1nnc2c(c1=O)cccc2)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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-13(25-21(27)16-6-4-5-7-17(16)22-23-25)20(26)24-9-8-14-10-18(28-2)19(29-3)11-15(14)12-24/h4-7,10-11,13H,8-9,12H2,1-3H3InChIKey
SKFMDLXUVQNGIA-UHFFFAOYSA-NSynonyms
(S)3(1(67dimethoxy34dihydroisoquinolin2(1H)yl)1oxopropan2yl)benzo(d)(123)triazin4(3H)one
3(1(67dimethoxy34dihydro1Hisoquinolin2yl)1oxopropan2yl)123benzotriazin4one
3(1(67dimethoxy34dihydroisoquinolin2(1H)yl)1oxopropan2yl)123benzotriazin4(3H)one
CC(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)N3C(=O)C4=CC=CC=C4N=N3
COc1cc2CN(CCc2cc1OC)C(=O)(C@@H)(n1nnc2c(c1=O)cccc2)C
InChI=1SC21H22N4O4c113(2521(27)16645717(16)222325)20(26)2498141018(282)19(293)1115(14)1224h47101113H8912H213H3
MFCD20756338
ZINC000044450405
ZINC000044450406
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