Vitas-M small molecule compound
2,6-di-tert-butyl-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Catalog ID
STL044670
SMILES O=C(CSc1[nH+]ncn1C)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(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 C20H29N5O2S MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N5O2S/c1-19(2,3)14-8-13(9-15(17(14)27)20(4,5)6)10-21-23-16(26)11-28-18-24-22-12-25(18)7/h8-10,12,27H,11H2,1-7H3,(H,23,26)/b21-10+InChIKey
LPUQKDYLFNEAQV-UFFVCSGVSA-NSynonyms
843619-04-526ditertbutyl4((E)(2(((4methyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
843619045
MFCD03327490
O=C(CSc1(nH+)ncn1C)NN=Cc1cc(c(c(c1)C(C)(C)C)(O))C(C)(C)C
ZINC000002355910
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