Vitas-M small molecule compound
2-amino-6-(hydroxymethyl)-8-oxo-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Catalog ID
STK778409
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)SC(F)(F)F)oc(cc2=O)CO
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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 C17H11F3N2O4S MW 396.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11F3N2O4S/c18-17(19,20)27-10-3-1-8(2-4-10)13-11(6-21)16(22)26-14-12(24)5-9(7-23)25-15(13)14/h1-5,13,23H,7,22H2InChIKey
RXRKWTUAXHCMPA-UHFFFAOYSA-NSynonyms
(4S)2AMINO6(HYDROXYMETHYL)8OXO4(4((TRIFLUOROMETHYL)SULFANYL)PHENYL)48DIHYDROPYRANO(32B)PYRAN3CARBONITRILE
2amino6(hydroxymethyl)8oxo4(4((trifluoromethyl)sulfanyl)phenyl)48dihydropyrano(32b)pyran3carbonitrile
2AMINO6(HYDROXYMETHYL)8OXO4(4(TRIFLUOROMETHYLSULFANYL)PHENYL)4HPYRANO(32B)PYRAN3CARBONITRILE
C1=CC(=CC=C1C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)SC(F)(F)F
InChI=1SC17H11F3N2O4Sc1817(1920)2710318(2410)1311(621)16(22)261412(24)59(723)2515(13)14h151323H722H2
MFCD05856562
ZINC000001427371
ZINC000001427372
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