Vitas-M small molecule compound

(4E)-5-(4-tert-butylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STK568470
SMILES Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-17-14-18(2)26-24(15-17)40-31(33-26)34-27(19-6-9-21(10-7-19)32(3,4)5)25(29(36)30(34)37)28(35)20-8-11-22-23(16-20)39-13-12-38-22/h6-11,14-16,27,35H,12-13H2,1-5H3/b28-25+
InChIKey
GDEFPYYRNZMRIY-AZPGRJICSA-N
Synonyms

(4E)5(4tertbutylphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)C(C)(C)C)C
Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC32H30N2O5Sc1171418(2)2624(1517)4031(3326)3427(196921(10719)32(34)5)25(29(36)30(34)37)28(35)208112223(1620)3913123822h61114162735H1213H215H3b2825+
MFCD07201726
ZINC000102652917
ZINC000102652919

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Available files

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