Vitas-M small molecule compound

methyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK755424
SMILES COC(=O)COc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OC)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 C16H18N2O5S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5S/c1-9-13(15(20)22-3)14(18-16(24)17-9)10-4-6-11(7-5-10)23-8-12(19)21-2/h4-7,14H,8H2,1-3H3,(H2,17,18,24)
InChIKey
CLCASJOIYHNWKY-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC(=O)OC)C(=O)OC
InChI=1SC16H18N2O5Sc1913(15(20)223)14(1816(24)179)104611(7510)23812(19)212h4714H8H213H3(H2171824)
METHYL4(4(2METHOXY2OXOETHOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(4(2methoxy2oxoethoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD00828016
ZINC000002490511
ZINC000002490512

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Available files

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