Vitas-M small molecule compound

(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL049955
SMILES CCOc1cc(ccc1O)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 C31H28N2O7S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O7S/c1-4-38-20-8-9-21-25(15-20)41-31(32-21)33-27(17-6-10-22(34)24(14-17)39-5-2)26(29(36)30(33)37)28(35)18-7-11-23-19(13-18)12-16(3)40-23/h6-11,13-16,27,34-35H,4-5,12H2,1-3H3/b28-26+
InChIKey
SSSVFQUORNPMHA-BYCLXTJYSA-N
Synonyms
850738-16-8
(4E)1(6ethoxy13benzothiazol2yl)5(3ethoxy4hydroxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850738168
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(=C(C=C6)O)OCC
CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H28N2O7Sc143820892125(1520)4131(3221)3327(1761022(34)24(1417)3952)26(29(36)30(33)37)28(35)187112319(1318)1216(3)4023h6111316273435H4512H213H3b2826+
MFCD05733102
ZINC000102886252
ZINC000102886256

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Available files

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