Vitas-M small molecule compound

ethyl 2-(chloromethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Catalog ID
STK500347
SMILES CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)CCl

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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 C11H11ClN2O3S MW 286.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11ClN2O3S/c1-3-17-11(16)8-5(2)7-9(15)13-6(4-12)14-10(7)18-8/h3-4H2,1-2H3,(H,13,14,15)
InChIKey
NDYRHNGDLDUAFF-UHFFFAOYSA-N
Synonyms
89567-06-6
2(CHLOROMETHYL)4(3H)OXO5METHYLTHIENO(23D)PYRIMIDINE6CARBOXYLICACIDETHYLESTER
2CHLOROMETHYL5METHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLICACIDETHYLESTER
89567066
CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CCl)C
CCOC(=O)c1sc2c(c1C)c(=O)(nH)c(n2)CCl
ethyl2(chloromethyl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ETHYL2(CHLOROMETHYL)5METHYL4OXO3H4HTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ETHYL2(CHLOROMETHYL)5METHYL4OXO3HTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ETHYL2(CHLOROMETHYL)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLATE
ETHYL2CHLOROMETHYL5METHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLATE
InChI=1SC11H11ClN2O3Sc131711(16)85(2)79(15)136(412)1410(7)188h34H212H3(H131415)
MFCD03658018
THIENO(23D)PYRIMIDINE6CARBOXYLICACID2(CHLOROMETHYL)14DIHYDRO5METHYL4OXOETHYLESTER
ZINC000017028424
ZINC17028424

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Available files

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