Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL056348
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2cccc(c2)Oc2ccccc2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)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 C35H28N2O5S MW 588.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O5S/c1-19-14-20(2)30-28(15-19)43-35(36-30)37-31(22-8-7-11-26(18-22)42-25-9-5-4-6-10-25)29(33(39)34(37)40)32(38)23-12-13-27-24(17-23)16-21(3)41-27/h4-15,17-18,21,31,38H,16H2,1-3H3/b32-29+InChIKey
NZKYDUXURDSEDY-UUDCSCGESA-NSynonyms
1202985-75-8(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3phenoxyphenyl)pyrrolidine23dione
1202985758
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=CC=C6)OC7=CC=CC=C7)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2cccc(c2)Oc2ccccc2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC35H28N2O5Sc1191420(2)3028(1519)4335(3630)3731(22871126(1822)422595461025)29(33(39)34(37)40)32(38)2312132724(1723)1621(3)4127h4151718213138H16H213H3b3229+
MFCD05731036
ZINC000102735570
ZINC000102735575
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