Vitas-M small molecule compound
methyl 3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-[2-(dimethylamino)quinolin-3-yl]propanoate
Catalog ID
STL551367
SMILES COC(=O)CC(c1cc2ccccc2nc1N(C)C)c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O
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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 C30H31N3O5 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O5/c1-32(2)30-24(14-20-9-6-7-11-25(20)31-30)23(16-27(35)37-3)29-28(36)26(34)15-22(38-29)18-33-13-12-19-8-4-5-10-21(19)17-33/h4-11,14-15,23,36H,12-13,16-18H2,1-3H3InChIKey
MRRSHFIPRVPBOZ-UHFFFAOYSA-NSynonyms
129895897
InChI=1SC30H31N3O5c132(2)3024(14209671125(20)3130)23(1627(35)373)2928(36)26(34)1522(3829)18331312198451021(19)1733h41114152336H12131618H213H3
methyl3(6((34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(2(dimethylamino)quinolin3yl)propanoate
methyl3(6(34dihydro1~(H)isoquinolin2ylmethyl)3hydroxy4oxopyran2yl)3(2(dimethylamino)quinolin3yl)propanoate
methyl3(6(34dihydroisoquinolin2(1H)ylmethyl)3hydroxy4oxo4Hpyran2yl)3(2(dimethylamino)quinolin3yl)propanoate
MFCD31758094
ZINC000524731858
ZINC000524731859
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