Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL048579
SMILES COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
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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 C36H30N2O6S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O6S/c1-20-9-12-26-30(15-20)45-36(37-26)38-32(23-10-14-28(29(18-23)42-3)43-19-22-7-5-4-6-8-22)31(34(40)35(38)41)33(39)24-11-13-27-25(17-24)16-21(2)44-27/h4-15,17-18,21,32,39H,16,19H2,1-3H3/b33-31+InChIKey
AADVPSXFZKGIRT-QOSDPKFLSA-NSynonyms
1203415-53-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3METHOXY4PHENYLMETHOXYPHENYL)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
1203415535
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OC)O
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC36H30N2O6Sc1209122630(1520)4536(3726)3832(23101428(29(1823)423)4319227546822)31(34(40)35(38)41)33(39)2411132725(1724)1621(2)4427h4151718213239H1619H213H3b3331+
MFCD05724725
ZINC000102884233
ZINC000102884242
Check stock
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Check stock on Vitas-MAvailable files
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