Vitas-M small molecule compound
2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STK187723
SMILES COc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)N(C)C(=S)N(C1=O)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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-24-20(26)17(21(27)25(2)22(24)30)10-14-8-9-18(19(11-14)28-3)29-13-16-7-5-4-6-15(16)12-23/h4-11H,13H2,1-3H3InChIKey
IPIQBHJAXSSEKB-UHFFFAOYSA-NSynonyms
2((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((13DIMETHYL46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2METHOXYPHENOXY)METHYL)BENZENECARBONITRILE
2((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)OC)C(=O)N(C1=S)C
InChI=1SC22H19N3O4Sc12420(26)17(21(27)25(2)22(24)30)10148918(19(1114)283)291316754615(16)1223h411H13H213H3
MFCD02779365
ZINC000009260217
ZINC09260217
ZINC9260217
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