Vitas-M small molecule compound

(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STL057483
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccccc2OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C29H26N2O5S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5S/c1-4-17-10-15-21-23(16-17)37-29(30-21)31-25(20-8-6-7-9-22(20)35-3)24(27(33)28(31)34)26(32)18-11-13-19(14-12-18)36-5-2/h6-16,25,32H,4-5H2,1-3H3/b26-24+
InChIKey
TYECLEMJVXTJNA-SHHOIMCASA-N
Synonyms
618423-64-6
(4E)4((4ethoxyphenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(2methoxyphenyl)pyrrolidine23dione
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
4((4ETHOXYPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(2METHOXYPHENYL)3PYRROLIN2ONE
618423646
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OCC)O)C(=O)C3=O)C5=CC=CC=C5OC
CCOc1ccc(cc1)C(=C1C(c2ccccc2OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC29H26N2O5Sc141710152123(1617)3729(3021)3125(20867922(20)353)24(27(33)28(31)34)26(32)18111319(141218)3652h6162532H45H213H3b2624+
MFCD05733608
ZINC000102897332
ZINC000102897335

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Available files

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