Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL052240
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C33H32N2O5S MW 568.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O5S/c1-5-6-12-39-24-9-7-8-21(17-24)29-27(30(36)22-10-11-25-23(16-22)15-20(4)40-25)31(37)32(38)35(29)33-34-28-19(3)13-18(2)14-26(28)41-33/h7-11,13-14,16-17,20,29,36H,5-6,12,15H2,1-4H3/b30-27+InChIKey
UWCZCKDWXQRFAB-KDJFERLWSA-NSynonyms
893697-38-6(4E)5(3butoxyphenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893697386
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC33H32N2O5Sc15612392497821(1724)2927(30(36)2210112523(1622)1520(4)4025)31(37)32(38)35(29)33342819(3)1318(2)1426(28)4133h71113141617202936H561215H214H3b3027+
MFCD05731151
ZINC000102889936
ZINC000102889941
Check stock
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