Vitas-M small molecule compound
methyl 6-(3-methoxy-2-propoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STL378282
SMILES CCCOc1c(OC)cccc1C1NC(=NC(=C1C(=O)OC)C)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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-5-9-23-15-11(7-6-8-12(15)21-3)14-13(16(20)22-4)10(2)18-17(24)19-14/h6-8,14H,5,9H2,1-4H3,(H2,18,19,24)InChIKey
BINKDIPPFTXIOD-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=CC=C1OC)C2C(=C(NC(=S)N2)C)C(=O)OC
InChI=1SC17H22N2O4Sc159231511(76812(15)213)1413(16(20)224)10(2)1817(24)1914h6814H59H214H3(H2181924)
METHYL4(3METHOXY2PROPOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl6(3methoxy2propoxyphenyl)4methyl2sulfanyl16dihydropyrimidine5carboxylate
MFCD03698400
ZINC000005922073
ZINC000005922098
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