Vitas-M small molecule compound

(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STK560883
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc[nH+]c1)/[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 C27H29N3O7 MW 507.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O7/c1-34-19-8-5-7-17(13-19)24(31)22-23(18-14-20(35-2)26(37-4)21(15-18)36-3)30(27(33)25(22)32)11-6-10-29-12-9-28-16-29/h5,7-9,12-16,23,31H,6,10-11H2,1-4H3/b24-22+
InChIKey
NFKQLQCHNPAZHZ-ZNTNEXAZSA-N
Synonyms
609316-32-7
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
609316327
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C(=C4)OC)OC)OC)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCCn1cc(nH+)c1)(O)
InChI=1SC27H29N3O7c1341985717(1319)24(31)2223(181420(352)26(374)21(1518)363)30(27(33)25(22)32)1161029129281629h57912162331H61011H214H3b2422+
MFCD18243654
ZINC000102499665
ZINC000102499675

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Available files

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