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-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL051800
SMILES COc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-15-10-16(2)25-23(11-15)38-30(31-25)32-26(18-6-5-7-21(14-18)36-4)24(28(34)29(32)35)27(33)19-8-9-22-20(13-19)12-17(3)37-22/h5-11,13-14,17,26,33H,12H2,1-4H3/b27-24+InChIKey
QTAVQNLQKPLJCM-SOYKGTTHSA-NSynonyms
850731-67-8(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3methoxyphenyl)pyrrolidine23dione
850731678
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)OC)O
COc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H26N2O5Sc1151016(2)2523(1115)3830(3125)3226(1865721(1418)364)24(28(34)29(32)35)27(33)19892220(1319)1217(3)3722h5111314172633H12H214H3b2724+
MFCD05726432
ZINC000102889050
ZINC000102889058
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Check stock on Vitas-MAvailable files
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