Vitas-M small molecule compound
(6E)-5-imino-6-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK531518
SMILES COc1ccccc1OCCOc1ccc(cc1/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)[N+](=O)[O-]
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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 C22H16F3N5O6S MW 535.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3N5O6S/c1-34-16-4-2-3-5-17(16)36-9-8-35-15-7-6-13(30(32)33)10-12(15)11-14-18(26)29-21(27-19(14)31)37-20(28-29)22(23,24)25/h2-7,10-11,26H,8-9H2,1H3/b14-11+,26-18+InChIKey
XOERNXPFFOFOMT-DRSDJSTOSA-NSynonyms
(6E)5imino6(2(2(2methoxyphenoxy)ethoxy)5nitrobenzylidene)2(trifluoromethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6(2(2(2methoxyphenoxy)ethoxy)5nitrobenzylidene)2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccccc1OCCOc1ccc(cc1C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)(N+)(=O)(O)
MFCD02234184
ZINC000100735340
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