Vitas-M small molecule compound
ethyl 4-(5-{(E)-[5-imino-7-oxo-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK040984
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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 C20H13F3N4O4S MW 462.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13F3N4O4S/c1-2-30-17(29)11-5-3-10(4-6-11)14-8-7-12(31-14)9-13-15(24)27-19(25-16(13)28)32-18(26-27)20(21,22)23/h3-9,24H,2H2,1H3/b13-9+,24-15+InChIKey
PNZQPEAAFGAUMV-XZNKGKGBSA-NSynonyms
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
ethyl4(5((E)(5imino7oxo2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02753218
STK040984
ZINC000009425511
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