Vitas-M small molecule compound
methyl 3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-[1-(propan-2-yl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL545912
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1cnn(c1)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 C27H33N3O7 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O7/c1-16(2)30-14-19(12-28-30)21(11-25(32)36-5)27-26(33)22(31)10-20(37-27)15-29-7-6-17-8-23(34-3)24(35-4)9-18(17)13-29/h8-10,12,14,16,21,33H,6-7,11,13,15H2,1-5H3InChIKey
XQMXLJFYALMPFL-UHFFFAOYSA-NSynonyms
121541657
InChI=1SC27H33N3O7c116(2)301419(122830)21(1125(32)365)2726(33)22(31)1020(3727)15297617823(343)24(354)918(17)1329h8101214162133H67111315H215H3
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(1propan2ylpyrazol4yl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(1(propan2yl)1Hpyrazol4yl)propanoate
METHYL3(6((67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)3(1ISOPROPYL1HPYRAZOL4YL)PROPANOATE
MFCD30344307
ZINC000263586757
ZINC000263586758
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