Vitas-M small molecule compound
4-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Catalog ID
STK380486
SMILES COc1cc(cc(c1OCc1ccc(cc1)Cl)I)c1nc(SC)n(c(=O)c1C#N)C
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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 C21H17ClIN3O3S MW 553.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClIN3O3S/c1-26-20(27)15(10-24)18(25-21(26)30-3)13-8-16(23)19(17(9-13)28-2)29-11-12-4-6-14(22)7-5-12/h4-9H,11H2,1-3H3InChIKey
DWIZDCZIGZZFAV-UHFFFAOYSA-NSynonyms
4(4((4CHLOROBENZYL)OXY)3IODO5METHOXYPHENYL)1METHYL2(METHYLSULFANYL)6OXO16DIHYDRO5PYRIMIDINECARBONITRILE
4(4((4chlorobenzyl)oxy)3iodo5methoxyphenyl)1methyl2(methylsulfanyl)6oxo16dihydropyrimidine5carbonitrile
4(4((4CHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)1METHYL2METHYLSULFANYL6OXOPYRIMIDINE5CARBONITRILE
6(4((4CHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)3METHYL2METHYLTHIO4OXO3HYDROPYRIMIDINE5CARBONITRILE
CN1C(=O)C(=C(N=C1SC)C2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)Cl)OC)C#N
InChI=1SC21H17ClIN3O3Sc12620(27)15(1024)18(2521(26)303)13816(23)19(17(913)282)2911124614(22)7512h49H11H213H3
MFCD02314288
ZINC000000680527
ZINC00680527
ZINC680527
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