Vitas-M small molecule compound
ethyl 6-[4-(methoxycarbonyl)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK013268
SMILES CCOC(=O)C1=C(C)N=C(NC1c1ccc(cc1)C(=O)OC)S
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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 C16H18N2O4S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S/c1-4-22-15(20)12-9(2)17-16(23)18-13(12)10-5-7-11(8-6-10)14(19)21-3/h5-8,13H,4H2,1-3H3,(H2,17,18,23)InChIKey
SORSKMWSJWXYDK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)N=C(NC1c1ccc(cc1)C(=O)OC)S
CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)OC)C
ETHYL4(4METHOXYCARBONYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(4(METHOXYCARBONYL)PHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC16H18N2O4Sc142215(20)129(2)1716(23)1813(12)105711(8610)14(19)213h5813H4H213H3(H2171823)
MFCD08049502
STK013268
ZINC000004551674
ZINC000004551675
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