Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL054109
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2c(s1)cc(cc2)F)/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 C31H27FN2O4S MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27FN2O4S/c1-16-13-19-14-18(7-12-23(19)38-16)27(35)25-26(17-5-8-20(9-6-17)31(2,3)4)34(29(37)28(25)36)30-33-22-11-10-21(32)15-24(22)39-30/h5-12,14-16,26,35H,13H2,1-4H3/b27-25+InChIKey
CRLYBMABKQPXFA-IMVLJIQESA-NSynonyms
850824-72-5(4E)5(4tertbutylphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850824725
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC=C(C=C6)C(C)(C)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2c(s1)cc(cc2)F)O
InChI=1SC31H27FN2O4Sc11613191418(71223(19)3816)27(35)2526(175820(9617)31(23)4)34(29(37)28(25)36)303322111021(32)1524(22)3930h51214162635H13H214H3b2725+
MFCD05738594
ZINC000102770870
ZINC000102770876
Check stock
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