Vitas-M small molecule compound
ethyl 4-amino-2-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Catalog ID
STK497761
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)c1ccc(cc1)C#N
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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 C16H14N4O3S MW 342.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3S/c1-2-23-15(22)12-8-19-16(20-14(12)18)24-9-13(21)11-5-3-10(7-17)4-6-11/h3-6,8H,2,9H2,1H3,(H2,18,19,20)InChIKey
XMGJHCWLJRAGCL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=C(C=C2)C#N
ethyl4amino2((2(4cyanophenyl)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ethyl4amino2(2(4cyanophenyl)2oxoethyl)sulfanylpyrimidine5carboxylate
InChI=1SC16H14N4O3Sc122315(22)1281916(2014(12)18)24913(21)115310(717)4611h368H29H21H3(H2181920)
MFCD11855096
ZINC000008787839
ZINC08787839
ZINC8787839
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