Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564244
SMILES CCOc1ccc(cc1Cl)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CCCn1c[nH+]cc1)/[O-]
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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 C27H28ClN3O6 MW 525.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O6/c1-4-37-20-8-7-18(14-19(20)28)25(32)23-24(17-6-9-21(35-2)22(15-17)36-3)31(27(34)26(23)33)12-5-11-30-13-10-29-16-30/h6-10,13-16,24,32H,4-5,11-12H2,1-3H3/b25-23+InChIKey
XFROHQAXNHTGQQ-WJTDDFOZSA-NSynonyms
850825-60-4(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(2(34dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
850825604
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C=C4)OC)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CCCn1c(nH+)cc1)(O)
InChI=1SC27H28ClN3O6c1437208718(1419(20)28)25(32)2324(176921(352)22(1517)363)31(27(34)26(23)33)12511301310291630h61013162432H451112H213H3b2523+
MFCD18244490
ZINC000102526694
ZINC000102526701
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