Vitas-M small molecule compound
(6Z)-6-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK050423
SMILES COc1cc(cc(c1OCc1ccccc1)I)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C26H25IN4O3S MW 600.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25IN4O3S/c1-33-21-14-17(13-20(27)22(21)34-15-16-8-4-2-5-9-16)12-19-23(28)31-26(29-24(19)32)35-25(30-31)18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18,28H,3,6-7,10-11,15H2,1H3/b19-12-,28-23-InChIKey
CMQNKKMIUWJZTG-URYGXRHHSA-NSynonyms
(6Z)6(4(benzyloxy)3iodo5methoxybenzylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1ccccc1)I)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD08051077
STK050423
ZINC000097958662
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