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-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL041624
SMILES COc1ccc(cc1)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/c1-15-11-16(2)25-23(12-15)38-30(31-25)32-26(18-5-8-21(36-4)9-6-18)24(28(34)29(32)35)27(33)19-7-10-22-20(14-19)13-17(3)37-22/h5-12,14,17,26,33H,13H2,1-4H3/b27-24+InChIKey
SWTVADLJTFQIAT-SOYKGTTHSA-NSynonyms
862192-52-7(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methoxyphenyl)pyrrolidine23dione
862192527
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC=C(C=C6)OC)O
COc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H26N2O5Sc1151116(2)2523(1215)3830(3125)3226(185821(364)9618)24(28(34)29(32)35)27(33)197102220(1419)1317(3)3722h51214172633H13H214H3b2724+
MFCD05731206
ZINC000102868051
ZINC000102868060
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