Vitas-M small molecule compound
6-ethyl-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-2-(propan-2-yl)-4H-chromen-7-olate
Catalog ID
STK559764
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1oc(C(C)C)c(c2=O)c1nc2c(n1C)cccc2
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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 C29H36N4O4 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O4/c1-5-19-16-20-26(36)24(29-30-22-8-6-7-9-23(22)31(29)4)27(18(2)3)37-28(20)21(25(19)35)17-33-12-10-32(11-13-33)14-15-34/h6-9,16,18,34-35H,5,10-15,17H2,1-4H3InChIKey
UAQLMXCPROMYSW-UHFFFAOYSA-NSynonyms
6ethyl8((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(1methyl1Hbenzimidazol2yl)4oxo2(propan2yl)4Hchromen7olate
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4N3C)C(NH+)5CCN(CC5)CCO)(O)
InChI=1SC29H36N4O4c1519162026(36)24(293022867923(22)31(29)4)27(18(2)3)3728(20)21(25(19)35)1733121032(111333)141534h6916183435H5101517H214H3
MFCD03671751
OCCN1CC(NH+)(CC1)Cc1c((O))c(CC)cc2c1oc(C(C)C)c(c2=O)c1nc2c(n1C)cccc2
ZINC000020170702
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