Vitas-M small molecule compound
(6E)-2-benzyl-6-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK086697
SMILES COc1cc(cc(c1OCCOc1ccccc1Cl)OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1
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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 C29H25ClN4O5S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O5S/c1-36-23-15-19(16-24(37-2)26(23)39-13-12-38-22-11-7-6-10-21(22)30)14-20-27(31)34-29(32-28(20)35)40-25(33-34)17-18-8-4-3-5-9-18/h3-11,14-16,31H,12-13,17H2,1-2H3/b20-14+,31-27-InChIKey
FGUCQIXIBUWBRG-YOSQIDBZSA-NSynonyms
(6E)2benzyl6(4(2(2chlorophenoxy)ethoxy)35dimethoxybenzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCCOc1ccccc1Cl)OC)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1
MFCD08672910
STK086697
ZINC000097959144
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