Vitas-M small molecule compound
N-{(2S)-1-[(1,3-benzodioxol-5-ylmethyl)amino]-3-methyl-1-oxobutan-2-yl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL537874
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-15(2)23(24(29)26-12-16-5-6-19-22(9-16)34-14-33-19)27-25(30)28-8-7-17-10-20(31-3)21(32-4)11-18(17)13-28/h5-6,9-11,15,23H,7-8,12-14H2,1-4H3,(H,26,29)(H,27,30)/t23-/m0/s1InChIKey
ZIJPRADSMRMITM-QHCPKHFHSA-NSynonyms
956952-01-5(S)N(1((benzo(d)(13)dioxol5ylmethyl)amino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
~(N)((2~(S))1(13benzodioxol5ylmethylamino)3methyl1oxobutan2yl)67dimethoxy34dihydro1~(H)isoquinoline2carboxamide
16407724
956952015
COc1cc2CCN(Cc2cc1OC)C(=O)N(C@H)(C(=O)NCc1ccc2c(c1)OCO2)C(C)C
InChI=1SC25H31N3O6c115(2)23(24(29)261216561922(916)34143319)2725(30)2887171020(313)21(324)1118(17)1328h569111523H781214H214H3(H2629)(H2730)t23m0s1
N((2S)1((13benzodioxol5ylmethyl)amino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
ZINC000008879705
ZINC8879705
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