Vitas-M small molecule compound
(6Z)-6-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK000455
SMILES COc1cc(ccc1OCc1ccc(cc1Cl)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C22H18ClFN4O3S MW 472.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN4O3S/c1-3-19-27-28-20(25)15(21(29)26-22(28)32-19)8-12-4-7-17(18(9-12)30-2)31-11-13-5-6-14(24)10-16(13)23/h4-10,25H,3,11H2,1-2H3/b15-8-,25-20-InChIKey
SSYJQNMLZQGQDG-PXVDBPEOSA-NSynonyms
(6Z)6(4((2chloro4fluorobenzyl)oxy)3methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCc1ccc(cc1Cl)F)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD08048975
STK000455
ZINC000012285052
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