Vitas-M small molecule compound
2-({4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Catalog ID
STK071882
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-2-35-24-15-18(12-13-23(24)36-17-21-11-7-6-10-20(21)16-29)14-22-25(30)33-28(31-26(22)34)37-27(32-33)19-8-4-3-5-9-19/h6-7,10-15,19,30H,2-5,8-9,17H2,1H3/b22-14-,30-25-InChIKey
UWKJURHMZWRKMN-ZLPQIYIZSA-NSynonyms
2((4((Z)(2cyclohexyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD02914707
STK071882
ZINC000008721915
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