Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
Catalog ID
STL057067
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nc2c(s1)cc(cc2)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 C28H22N2O4S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O4S/c1-15-8-10-20-22(12-15)35-28(29-20)30-24(17-6-4-3-5-7-17)23(26(32)27(30)33)25(31)18-9-11-21-19(14-18)13-16(2)34-21/h3-12,14,16,24,31H,13H2,1-2H3/b25-23+InChIKey
VJDAGIGMGJIMDN-WJTDDFOZSA-NSynonyms
849918-27-0(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5phenylpyrrolidine23dione
849918270
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC=CC=C6)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccccc1)c1nc2c(s1)cc(cc2)C)O
InChI=1SC28H22N2O4Sc1158102022(1215)3528(2920)3024(176435717)23(26(32)27(30)33)25(31)189112119(1418)1316(2)3421h31214162431H13H212H3b2523+
MFCD05728874
ZINC000102771392
ZINC000102771397
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