Vitas-M small molecule compound

2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate

Catalog ID
STL046007
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2[O-])[nH+]nc1c1ccc(cc1)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 C28H29N5O3S MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3S/c1-28(2,3)21-11-9-19(10-12-21)26-31-32-27(33(26)22-13-15-23(36-4)16-14-22)37-18-25(35)30-29-17-20-7-5-6-8-24(20)34/h5-17,34H,18H2,1-4H3,(H,30,35)/b29-17+
InChIKey
UOXGNSGJIYLDOP-STBIYBPSSA-N
Synonyms
497076-40-1
2((E)(2(((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
497076401
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03220076
ZINC000002311577

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Available files

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