Vitas-M small molecule compound
methyl 4-[(E)-2-(2-methoxyphenyl)ethenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK817035
SMILES COC(=O)C1=C(C)NC(=S)NC1/C=C/c1ccccc1OC
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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 C16H18N2O3S MW 318.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S/c1-10-14(15(19)21-3)12(18-16(22)17-10)9-8-11-6-4-5-7-13(11)20-2/h4-9,12H,1-3H3,(H2,17,18,22)/b9-8+InChIKey
PSTJCYSTALZVGX-CMDGGOBGSA-NSynonyms
CC1=C(C(NC(=S)N1)C=CC2=CC=CC=C2OC)C(=O)OC
COC(=O)C1=C(C)NC(=S)NC1C=Cc1ccccc1OC
InChI=1SC16H18N2O3Sc11014(15(19)213)12(1816(22)1710)9811645713(11)202h4912H13H3(H2171822)b98+
METHYL4((E)2(2METHOXYPHENYL)ETHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4((E)2(2methoxyphenyl)ethenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD04551316
ZINC000000572263
ZINC000000572265
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