Vitas-M small molecule compound
ethyl 6-[3-methoxy-2-(pentyloxy)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK039342
SMILES CCCCCOc1c(OC)cccc1C1NC(=NC(=C1C(=O)OCC)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 C20H28N2O4S MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O4S/c1-5-7-8-12-26-18-14(10-9-11-15(18)24-4)17-16(19(23)25-6-2)13(3)21-20(27)22-17/h9-11,17H,5-8,12H2,1-4H3,(H2,21,22,27)InChIKey
UTMWCQXSRCBRCX-UHFFFAOYSA-NSynonyms
CCCCCOC1=C(C=CC=C1OC)C2C(=C(NC(=S)N2)C)C(=O)OCC
CCCCCOc1c(OC)cccc1C1NC(=NC(=C1C(=O)OCC)C)S
ETHYL4(3METHOXY2PENTOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(3METHOXY2(PENTYLOXY)PHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC20H28N2O4Sc157812261814(1091115(18)244)1716(19(23)2562)13(3)2120(27)2217h91117H5812H214H3(H2212227)
MFCD08050614
STK039342
ZINC000004616488
ZINC000004616489
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