Vitas-M small molecule compound
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Catalog ID
STL241415
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)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)26-18-5-6-19-22(13-18)34-10-9-33-19)27-25(30)28-8-7-16-11-20(31-3)21(32-4)12-17(16)14-28/h5-6,11-13,15,23H,7-10,14H2,1-4H3,(H,26,29)(H,27,30)/t23-/m0/s1InChIKey
PRWJEYVVXKWSDH-QHCPKHFHSA-NSynonyms
(S)N(1((23dihydrobenzo(b)(14)dioxin6yl)amino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC
COc1cc2CCN(Cc2cc1OC)C(=O)N(C@H)(C(=O)Nc1ccc2c(c1)OCCO2)C(C)C
InChI=1SC25H31N3O6c115(2)23(24(29)2618561922(1318)341093319)2725(30)2887161120(313)21(324)1217(16)1428h5611131523H71014H214H3(H2629)(H2730)t23m0s1
MFCD08748005
N((2S)1(23dihydro14benzodioxin6ylamino)3methyl1oxobutan2yl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
N((2S)1(23dihydro14benzodioxin6ylamino)3methyl1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
ZINC000009340145
ZINC09340145
ZINC9340145
Check stock
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Check stock on Vitas-MAvailable files
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