Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL048241
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C33H36N2O7S MW 604.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O7S/c1-6-8-9-14-41-25-13-10-21(17-26(25)40-7-2)28-27(29(37)22-11-12-24-23(16-22)15-18(3)42-24)30(38)32(39)35(28)33-34-19(4)31(43-33)20(5)36/h10-13,16-18,28,37H,6-9,14-15H2,1-5H3/b29-27+InChIKey
NELUYDHZVSZAKH-ORIPQNMZSA-NSynonyms
(4E)1(5acetyl4methyl13thiazol2yl)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5ACETYL4METHYL13THIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC33H36N2O7Sc1689144125131021(1726(25)4072)2827(29(37)2211122423(1622)1518(3)4224)30(38)32(39)35(28)333419(4)31(4333)20(5)36h101316182837H691415H215H3b2927+
MFCD05726320
ZINC000102883548
ZINC000102883556
Check stock
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Check stock on Vitas-MAvailable files
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