Vitas-M small molecule compound
2-methoxyethyl 6-[3-methoxy-2-(pentyloxy)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK066985
SMILES CCCCCOc1c(OC)cccc1C1NC(=NC(=C1C(=O)OCCOC)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 C21H30N2O5S MW 422.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O5S/c1-5-6-7-11-27-19-15(9-8-10-16(19)26-4)18-17(14(2)22-21(29)23-18)20(24)28-13-12-25-3/h8-10,18H,5-7,11-13H2,1-4H3,(H2,22,23,29)InChIKey
RBDFUAXOMRUSFH-UHFFFAOYSA-NSynonyms
2METHOXYETHYL4(3METHOXY2PENTOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2METHOXYETHYL6(3METHOXY2(PENTYLOXY)PHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
CCCCCOC1=C(C=CC=C1OC)C2C(=C(NC(=S)N2)C)C(=O)OCCOC
CCCCCOc1c(OC)cccc1C1NC(=NC(=C1C(=O)OCCOC)C)S
InChI=1SC21H30N2O5Sc156711271915(981016(19)264)1817(14(2)2221(29)2318)20(24)281312253h81018H571113H214H3(H2222329)
MFCD04085905
STK066985
ZINC000018117105
ZINC000018117108
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