Vitas-M small molecule compound

3-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl}-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)propanamide

Catalog ID
STL542914
SMILES COc1cc(ccc1OCCc1ccc2c(c1)CCO2)C(c1c(O)nc2n(c1=O)cccc2)CC(=O)NCCc1ccc(c(c1)O)O

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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 C36H35N3O8 MW 637.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35N3O8/c1-45-31-20-24(7-10-30(31)47-16-12-23-6-9-29-25(18-23)13-17-46-29)26(34-35(43)38-32-4-2-3-15-39(32)36(34)44)21-33(42)37-14-11-22-5-8-27(40)28(41)19-22/h2-10,15,18-20,26,40-41,43H,11-14,16-17,21H2,1H3,(H,37,42)
InChIKey
NVBVNAMBMFCALP-UHFFFAOYSA-N
Synonyms
1630870-94-8
135639653
1630870948
3(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)~(N)(2(34dihydroxyphenyl)ethyl)3(2hydroxy4oxopyrido(12a)pyrimidin3yl)propanamide
3(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)N(2(34dihydroxyphenyl)ethyl)3(2hydroxy4oxo4Hpyrido(12a)pyrimidin3yl)propanamide
3(4(2(23DIHYDROBENZOFURAN5YL)ETHOXY)3METHOXYPHENYL)N(34DIHYDROXYPHENETHYL)3(2HYDROXY4OXO4HPYRIDO(12A)PYRIMIDIN3YL)PROPANAMIDE
InChI=1SC36H35N3O8c145312024(71030(31)47161223692925(1823)13174629)26(3435(43)38324231539(32)36(34)44)2133(42)371411225827(40)28(41)1922h21015182026404143H1114161721H21H3(H3742)
MFCD28350091
ZINC000217914720
ZINC000217914787

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.