Vitas-M small molecule compound
2-bromo-4-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STL047807
SMILES CCn1c(SCC(=O)N/N=C/c2cc(Br)c(c(c2)OC)[O-])[nH+]nc1c1ccc(cc1)Cl
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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 C20H19BrClN5O3S MW 524.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrClN5O3S/c1-3-27-19(13-4-6-14(22)7-5-13)25-26-20(27)31-11-17(28)24-23-10-12-8-15(21)18(29)16(9-12)30-2/h4-10,29H,3,11H2,1-2H3,(H,24,28)/b23-10+InChIKey
QDBGWRVBQUGYCE-AUEPDCJTSA-NSynonyms
487030-33-12bromo4((E)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
487030331
CCn1c(SCC(=O)NN=Cc2cc(Br)c(c(c2)OC)(O))(nH+)nc1c1ccc(cc1)Cl
MFCD03286848
ZINC000001473848
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