Vitas-M small molecule compound
(6Z)-6-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxybenzylidene)-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK078278
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)/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 C27H27F3N4O4S MW 560.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N4O4S/c1-4-16(3)18-7-9-19(10-8-18)37-12-13-38-21-11-6-17(15-22(21)36-5-2)14-20-23(31)34-26(32-24(20)35)39-25(33-34)27(28,29)30/h6-11,14-16,31H,4-5,12-13H2,1-3H3/b20-14-,31-23-InChIKey
DELQHDPHXBWWFR-MWWHNDGLSA-NSynonyms
(6Z)6(4(2(4(butan2yl)phenoxy)ethoxy)3ethoxybenzylidene)5imino2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD08672822
STK078278
ZINC000100666719
ZINC000100666724
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