Vitas-M small molecule compound
4-{(1Z)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Catalog ID
STK562919
SMILES CC/C(=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)OC)c1ccc(cc1)C(C)(C)C)/c1ccc(cc1)[O-]
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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 C30H33N5O3S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O3S/c1-6-26(20-9-15-24(36)16-10-20)31-32-27(37)19-39-29-34-33-28(21-7-11-22(12-8-21)30(2,3)4)35(29)23-13-17-25(38-5)18-14-23/h7-18,36H,6,19H2,1-5H3,(H,32,37)/b31-26-InChIKey
WAQNKZJUTXNLNG-ZXPTYKNPSA-NSynonyms
497922-00-64((1Z)1(2(((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)propyl)phenolate
497922006
CCC(=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)OC)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)(O)
MFCD03299608
ZINC000100881956
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.