Vitas-M small molecule compound
2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK188139
SMILES CCOc1cc(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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-4-29-20-12-15(11-18-21(27)25(2)23(31)26(3)22(18)28)9-10-19(20)30-14-17-8-6-5-7-16(17)13-24/h5-12H,4,14H2,1-3H3InChIKey
CHHMHEBUGVNGEQ-UHFFFAOYSA-NSynonyms
2((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((13DIMETHYL46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2ETHOXYPHENOXY)METHYL)BENZENECARBONITRILE
2((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC3=CC=CC=C3C#N
InChI=1SC23H21N3O4Sc1429201215(111821(27)25(2)23(31)26(3)22(18)28)91019(20)301417865716(17)1324h512H414H213H3
MFCD02779386
ZINC000008861816
ZINC08861816
ZINC8861816
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