Vitas-M small molecule compound

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

Catalog ID
STL505014
SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1OC(C)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 C16H20N2O3S MW 320.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3S/c1-9(2)21-12-8-6-5-7-11(12)14-13(15(19)20-4)10(3)17-16(22)18-14/h5-9,14H,1-4H3,(H2,17,18,22)
InChIKey
GSRVDRFJXLARKO-UHFFFAOYSA-N
Synonyms

2914338
InChI=1SC16H20N2O3Sc19(2)2112865711(12)1413(15(19)204)10(3)1716(22)1814h5914H14H3(H2171822)
methyl6methyl4(2(propan2yloxy)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
methyl6methyl4(2propan2yloxyphenyl)2sulfanylidene34dihydro1~(H)pyrimidine5carboxylate
METHYL6METHYL4(2PROPAN2YLOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD03143490
ZINC000000860093
ZINC000000860094

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Available files

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