Vitas-M small molecule compound
2-amino-4-(4-butoxyphenyl)-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Catalog ID
STK528919
SMILES CCCCOc1ccc(cc1)c1c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)nc(c1C#N)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 C28H22N4O4S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4S/c1-2-3-12-35-19-10-8-17(9-11-19)25-21(14-29)26(31)32-27(22(25)15-30)37-16-23(33)20-13-18-6-4-5-7-24(18)36-28(20)34/h4-11,13H,2-3,12,16H2,1H3,(H2,31,32)InChIKey
YNUUPUIZWJKBOI-UHFFFAOYSA-NSynonyms
313531-15-62amino4(4butoxyphenyl)6((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)pyridine35dicarbonitrile
2amino4(4butoxyphenyl)6((2oxo2(2oxo2Hchromen3yl)ethyl)thio)pyridine35dicarbonitrile
2AMINO4(4BUTOXYPHENYL)6(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYLPYRIDINE35DICARBONITRILE
313531156
CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)N)C#N
InChI=1SC28H22N4O4Sc12312351910817(91119)2521(1429)26(31)3227(22(25)1530)371623(33)201318645724(18)3628(20)34h41113H231216H21H3(H23132)
MFCD00559016
ZINC000020814475
ZINC20814475
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