Vitas-M small molecule compound
6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-2',3',5',6'-tetrahydro-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiopyran]-5-carbonitrile
Catalog ID
STK775354
SMILES N#CC1=C(N)Oc2c(C31CCSCC3)c(CSc1ccc(cc1)C)[nH]n2
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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 C19H20N4OS2 MW 384.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4OS2/c1-12-2-4-13(5-3-12)26-11-15-16-18(23-22-15)24-17(21)14(10-20)19(16)6-8-25-9-7-19/h2-5H,6-9,11,21H2,1H3,(H,22,23)InChIKey
OYSSCFVSXZJISP-UHFFFAOYSA-NSynonyms
6amino3(((4methylphenyl)sulfanyl)methyl)2356tetrahydro2Hspiro(pyrano(23c)pyrazole44thiopyran)5carbonitrile
6AMINO3((4METHYLPHENYL)SULFANYLMETHYL)SPIRO(2HPYRANO(23C)PYRAZOLE44THIANE)5CARBONITRILE
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34CCSCC4)C#N)N
InChI=1SC19H20N4OS2c1122413(5312)2611151618(232215)2417(21)14(1020)19(16)68259719h25H691121H21H3(H2223)
MFCD05257184
N#CC1=C(N)Oc2c(C31CCSCC3)c(CSc1ccc(cc1)C)(nH)n2
ZINC000006492258
ZINC6492258
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