Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK609672
SMILES CCCOc1cccc(c1)C1/C(=C(/c2cccc(c2)OC)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C30H28N2O5S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O5S/c1-5-12-37-22-11-6-8-19(15-22)26-24(27(33)20-9-7-10-21(16-20)36-4)28(34)29(35)32(26)30-31-25-18(3)13-17(2)14-23(25)38-30/h6-11,13-16,26,33H,5,12H2,1-4H3/b27-24+InChIKey
KKOHCGAXQOCPFV-SOYKGTTHSA-NSynonyms
618417-45-1(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(3methoxyphenyl)methylidene)5(3propoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
618417451
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C
CCCOc1cccc(c1)C1C(=C(c2cccc(c2)OC)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC30H28N2O5Sc15123722116819(1522)2624(27(33)20971021(1620)364)28(34)29(35)32(26)30312518(3)1317(2)1423(25)3830h61113162633H512H214H3b2724+
MFCD08734447
ZINC000102706136
ZINC000102706140
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