Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL056954
SMILES CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C31H28N2O6S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S/c1-4-37-21-8-6-7-18(15-21)27-26(28(34)19-9-12-24-20(14-19)13-17(3)39-24)29(35)30(36)33(27)31-32-23-11-10-22(38-5-2)16-25(23)40-31/h6-12,14-17,27,34H,4-5,13H2,1-3H3/b28-26+InChIKey
GDMNMSWSHAUXTE-BYCLXTJYSA-NSynonyms
(4E)1(6ethoxy13benzothiazol2yl)5(3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC(=CC=C6)OCC
CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H28N2O6Sc14372186718(1521)2726(28(34)199122420(1419)1317(3)3924)29(35)30(36)33(27)313223111022(3852)1625(23)4031h61214172734H4513H213H3b2826+
MFCD05728653
ZINC000102896370
ZINC000102896377
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