Vitas-M small molecule compound
5-(diethylammonio)-2-[(E)-(2-{[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Catalog ID
STK563613
SMILES CCn1c(SCC(=O)N/N=C/c2ccc(cc2[O-])[NH+](CC)CC)nc2c1cccc2
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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 C22H27N5O2S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2S/c1-4-26(5-2)17-12-11-16(20(28)13-17)14-23-25-21(29)15-30-22-24-18-9-7-8-10-19(18)27(22)6-3/h7-14,28H,4-6,15H2,1-3H3,(H,25,29)/b23-14+InChIKey
SAXSOKHZNDBNSO-OEAKJJBVSA-NSynonyms
307347-19-9307347199
5(diethylammonio)2((E)(2(((1ethyl1Hbenzimidazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
5(diethylazaniumyl)2((E)((2(1ethylbenzimidazol2yl)sulfanylacetyl)hydrazinylidene)methyl)phenolate
CCn1c(SCC(=O)NN=Cc2ccc(cc2(O))(NH+)(CC)CC)nc2c1cccc2
CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=C(C=C(C=C3)(NH+)(CC)CC)(O)
InChI=1SC22H27N5O2Sc1426(52)17121116(20(28)1317)14232521(29)15302224189781019(18)27(22)63h71428H4615H213H3(H2529)b2314+
MFCD01842138
ZINC000008653687
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