Vitas-M small molecule compound
2-[(4-{(Z)-[5-imino-7-oxo-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK056649
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)/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 C22H13F3IN5O3S MW 611.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13F3IN5O3S/c1-33-16-8-11(7-15(26)17(16)34-10-13-5-3-2-4-12(13)9-27)6-14-18(28)31-21(29-19(14)32)35-20(30-31)22(23,24)25/h2-8,28H,10H2,1H3/b14-6-,28-18-InChIKey
GHQULBBAHDLRHZ-ZFJWYLQTSA-NSynonyms
2((4((Z)(5imino7oxo2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
COc1cc(cc(c1OCc1ccccc1C#N)I)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
MFCD03083722
STK056649
ZINC000008453100
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