Vitas-M small molecule compound
6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(propan-2-yl)-4H-chromen-7-olate
Catalog ID
STL037212
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCN(CC1)C)oc(c(c2=O)c1nc2c(n1C)cccc2)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 C28H34N4O3 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O3/c1-6-18-15-19-25(34)23(28-29-21-9-7-8-10-22(21)31(28)5)26(17(2)3)35-27(19)20(24(18)33)16-32-13-11-30(4)12-14-32/h7-10,15,17,33H,6,11-14,16H2,1-5H3InChIKey
CTAJQLLXYYETDN-UHFFFAOYSA-NSynonyms
610759-96-1610759961
6ethyl3(1methyl1Hbenzimidazol2yl)8((4methylpiperazin1ium1yl)methyl)4oxo2(propan2yl)4Hchromen7olate
6ETHYL3(1METHYLBENZIMIDAZOL2YL)8((4METHYLPIPERAZIN1IUM1YL)METHYL)4OXO2PROPAN2YLCHROMEN7OLATE
6ETHYL7HYDROXY3(1METHYLBENZIMIDAZOL2YL)2(METHYLETHYL)8((4METHYLPIPERAZINYL)METHYL)CHROMEN4ONE
6ETHYL7HYDROXY3(1METHYLBENZIMIDAZOL2YL)8((4METHYLPIPERAZIN1YL)METHYL)2PROPAN2YLCHROMEN4ONE
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4N3C)C(NH+)5CCN(CC5)C)(O)
CCc1cc2c(c(c1(O))C(NH+)1CCN(CC1)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C(C)C
InChI=1SC28H34N4O3c1618151925(34)23(2829219781022(21)31(28)5)26(17(2)3)3527(19)20(24(18)33)1632131130(4)121432h710151733H6111416H215H3
MFCD03672129
ZINC000022920329
ZINC22920329
Check stock
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Check stock on Vitas-MAvailable files
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