Vitas-M small molecule compound
(6Z)-5-imino-6-{[1-(naphthalen-1-ylmethyl)-1H-pyrrol-2-yl]methylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK008376
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cccn1Cc1cccc2c1cccc2)C(F)(F)F
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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 C22H14F3N5OS MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14F3N5OS/c23-22(24,25)20-28-30-18(26)17(19(31)27-21(30)32-20)11-15-8-4-10-29(15)12-14-7-3-6-13-5-1-2-9-16(13)14/h1-11,26H,12H2/b17-11-,26-18-InChIKey
SYQRSPOACIIJRI-HRMDVKPESA-NSynonyms
(6Z)5imino6((1(naphthalen1ylmethyl)1Hpyrrol2yl)methylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD08049298
O=C1N=c2sc(nn2C(=N)C1=Cc1cccn1Cc1cccc2c1cccc2)C(F)(F)F
STK008376
ZINC000012285387
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