Vitas-M small molecule compound
(6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK380397
SMILES CCCCCCCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OCc3ccccc3Cl)/C(=N)n2n1
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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 C27H28ClIN4O3S MW 650.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClIN4O3S/c1-3-4-5-6-7-12-23-32-33-25(30)19(26(34)31-27(33)37-23)13-17-14-21(29)24(22(15-17)35-2)36-16-18-10-8-9-11-20(18)28/h8-11,13-15,30H,3-7,12,16H2,1-2H3/b19-13-,30-25-InChIKey
RHDNAUBPBHRIPZ-DXQQQNIASA-NSynonyms
(6Z)6(4((2chlorobenzyl)oxy)3iodo5methoxybenzylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1sc2=NC(=O)C(=Cc3cc(I)c(c(c3)OC)OCc3ccccc3Cl)C(=N)n2n1
MFCD02119328
ZINC000097962973
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