Vitas-M small molecule compound
3-(2-{(E)-2-[acetyl(phenyl)amino]ethenyl}-5-[(decyloxy)carbonyl]-1-ethyl-1H-3,1-benzimidazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK366335
SMILES CCCCCCCCCCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(n2CC)/C=C/N(c1ccccc1)C(=O)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 C33H45N3O6S MW 611.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O6S/c1-4-6-7-8-9-10-11-15-24-42-33(38)28-19-20-30-31(26-28)36(22-16-25-43(39,40)41)32(34(30)5-2)21-23-35(27(3)37)29-17-13-12-14-18-29/h12-14,17-21,23,26H,4-11,15-16,22,24-25H2,1-3H3InChIKey
KINMTOZRKRVHAB-UHFFFAOYSA-NSynonyms
3(2((1E)2(NPHENYLACETYLAMINO)VINYL)5(DECYLOXYCARBONYL)1ETHYLBENZIMIDAZOL3YL)PROPANESULFONICACID
3(2((E)2(acetyl(phenyl)amino)ethenyl)5((decyloxy)carbonyl)1ethyl1H31benzimidazol3ium3yl)propane1sulfonate
3(2((E)2(NACETYLANILINO)ETHENYL)6DECOXYCARBONYL3ETHYLBENZIMIDAZOL3IUM1YL)PROPANE1SULFONATE
3(2(2(NACETYLANILINO)ETHENYL)6DECOXYCARBONYL3ETHYLBENZIMIDAZOL3IUM1YL)PROPANE1SULFONATE
CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)(N+)(=C(N2CCCS(=O)(=O)(O))C=CN(C3=CC=CC=C3)C(=O)C)CC
CCCCCCCCCCOC(=O)c1ccc2c(c1)(n+)(CCCS(=O)(=O)(O))c(n2CC)C=CN(c1ccccc1)C(=O)C
InChI=1SC33H45N3O6Sc146789101115244233(38)2819203031(2628)36(22162543(3940)41)32(34(30)52)212335(27(3)37)29171312141829h121417212326H4111516222425H213H3
MFCD00317382
ZINC000097962836
Check stock
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