Vitas-M small molecule compound
ethyl 3-(4-ethylphenyl)-2,4-dioxo-1-pentyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STL145634
SMILES CCCCCn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)CC)CCN(C3)C(=O)OCC
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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 C25H31N3O4S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4S/c1-4-7-8-14-27-23-21(19-13-15-26(16-20(19)33-23)25(31)32-6-3)22(29)28(24(27)30)18-11-9-17(5-2)10-12-18/h9-12H,4-8,13-16H2,1-3H3InChIKey
QTSMJSHEQLOJEM-UHFFFAOYSA-NSynonyms
CCCCCN1C2=C(C3=C(S2)CN(CC3)C(=O)OCC)C(=O)N(C1=O)C4=CC=C(C=C4)CC
ethyl3(4ethylphenyl)24dioxo1pentyl134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl3(4ethylphenyl)24dioxo1pentyl68dihydro5Hpyrido(23)thieno(24b)pyrimidine7carboxylate
InChI=1SC25H31N3O4Sc147814272321(19131526(1620(19)3323)25(31)3263)22(29)28(24(27)30)1811917(52)101218h912H481316H213H3
MFCD14726450
ZINC000009938924
ZINC9938924
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