Vitas-M small molecule compound
2-methoxy-4-[(1Z)-1-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenolate
Catalog ID
STL036816
SMILES COc1cc(ccc1[O-])/C(=N\NC(=O)CSc1n[nH+]c(s1)SCc1ccc(cc1)C)/C
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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 C21H22N4O3S3 MW 474.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S3/c1-13-4-6-15(7-5-13)11-29-20-24-25-21(31-20)30-12-19(27)23-22-14(2)16-8-9-17(26)18(10-16)28-3/h4-10,26H,11-12H2,1-3H3,(H,23,27)/b22-14-InChIKey
SVJHMMDPDXJNAU-HMAPJEAMSA-NSynonyms
488726-30-32methoxy4((1Z)1(2(((5((4methylbenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenolate
488726303
COc1cc(ccc1(O))C(=NNC(=O)CSc1n(nH+)c(s1)SCc1ccc(cc1)C)C
InChI=1SC21H22N4O3S3c1134615(7513)112920242521(3120)301219(27)232214(2)168917(26)18(1016)283h41026H1112H213H3(H2327)b2214
MFCD03291608
ZINC000013564458
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