Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044836
SMILES C[NH+](CCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=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 C30H31ClN2O4 MW 519.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O4/c1-20-18-24(37-19-21-8-5-4-6-9-21)14-15-25(20)28(34)26-27(22-10-12-23(31)13-11-22)33(30(36)29(26)35)17-7-16-32(2)3/h4-6,8-15,18,27,34H,7,16-17,19H2,1-3H3/b28-26+InChIKey
LMWPWTLBAUAACI-BYCLXTJYSA-NSynonyms
488131-00-6(4E)5(4CHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
488131006
C(NH+)(CCCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC=C(C=C4)Cl)(O)
InChI=1SC30H31ClN2O4c1201824(3719218546921)141525(20)28(34)2627(22101223(31)131122)33(30(36)29(26)35)1771632(2)3h46815182734H7161719H213H3b2826+
MFCD18248498
ZINC000102880095
ZINC000102880098
Check stock
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Check stock on Vitas-MAvailable files
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