Vitas-M small molecule compound
tert-butyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK649664
SMILES COc1cc(ccc1O)C1NC(=NC(=C1C(=O)OC(C)(C)C)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/c1-9-13(15(21)23-17(2,3)4)14(19-16(24)18-9)10-6-7-11(20)12(8-10)22-5/h6-8,14,20H,1-5H3,(H2,18,19,24)InChIKey
QAPUJXUHQYYCDX-UHFFFAOYSA-NSynonyms
442153-74-4442153744
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)OC)C(=O)OC(C)(C)C
InChI=1SC17H22N2O4Sc1913(15(21)2317(23)4)14(1916(24)189)106711(20)12(810)225h681420H15H3(H2181924)
MFCD18165343
TERTBUTYL4(4HYDROXY3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
tertbutyl6(4hydroxy3methoxyphenyl)4methyl2sulfanyl16dihydropyrimidine5carboxylate
ZINC000004183498
ZINC000004183501
ZINC04183498
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