Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK614269
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1sc2c(n1)c(C)cc(c2)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 C32H32N2O4S MW 540.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O4S/c1-17-14-19(3)26-24(15-17)39-31(33-26)34-27(20-8-11-22(12-9-20)32(4,5)6)25(29(36)30(34)37)28(35)21-10-13-23(38-7)18(2)16-21/h8-16,27,35H,1-7H3/b28-25+InChIKey
IAHOWCDSXORBHR-AZPGRJICSA-NSynonyms
618418-13-6(4E)5(4tertbutylphenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(4methoxy3methylphenyl)methylidene)pyrrolidine23dione
618418136
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=C(C=C4)OC)C)O)C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C)C
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC32H32N2O4Sc1171419(3)2624(1517)3931(3326)3427(2081122(12920)32(45)6)25(29(36)30(34)37)28(35)21101323(387)18(2)1621h8162735H17H3b2825+
MFCD08729992
ZINC000102712997
ZINC000102713001
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