Vitas-M small molecule compound

propan-2-yl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK862635
SMILES COc1cccc(c1)C1NC(=S)NC(=C1C(=O)OC(C)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)21-15(19)13-10(3)17-16(22)18-14(13)11-6-5-7-12(8-11)20-4/h5-9,14H,1-4H3,(H2,17,18,22)
InChIKey
DCEDOLLTQDSVRR-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)OC(C)C
InChI=1SC16H20N2O3Sc19(2)2115(19)1310(3)1716(22)1814(13)1165712(811)204h5914H14H3(H2171822)
MFCD04445792
PROPAN2YL4(3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
propan2yl4(3methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate

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Available files

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