Vitas-M small molecule compound

(E)-{2-[3-(benzyloxy)phenyl]-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STL050056
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CC[NH+](C)C)/[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 C31H32N2O5 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5/c1-20-16-24-17-23(12-13-26(24)38-20)29(34)27-28(33(15-14-32(2)3)31(36)30(27)35)22-10-7-11-25(18-22)37-19-21-8-5-4-6-9-21/h4-13,17-18,20,28,34H,14-16,19H2,1-3H3/b29-27+
InChIKey
CHKIOSBIAQZYPB-ORIPQNMZSA-N
Synonyms
842967-92-4
(4E)1(2(dimethylamino)ethyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3phenylmethoxyphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(3(benzyloxy)phenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
842967924
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC(=CC=C4)OCC5=CC=CC=C5)O
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)CC(NH+)(C)C)(O)
InChI=1SC31H32N2O5c12016241723(121326(24)3820)29(34)2728(33(151432(2)3)31(36)30(27)35)221071125(1822)3719218546921h4131718202834H141619H213H3b2927+
MFCD18249309
ZINC000102735266
ZINC000102735272

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Available files

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