Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-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
STK594660
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C34H33FN2O6S MW 616.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33FN2O6S/c1-5-41-27-16-20(6-11-26(27)42-13-12-18(2)3)30-29(31(38)21-7-10-25-22(15-21)14-19(4)43-25)32(39)33(40)37(30)34-36-24-9-8-23(35)17-28(24)44-34/h6-11,15-19,30,38H,5,12-14H2,1-4H3/b31-29+InChIKey
SJBARLIUXUSWCH-OWWNRXNESA-NSynonyms
897835-79-9(4E)5(3ethoxy4(3methylbutoxy)phenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835799
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)F)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC34H33FN2O6Sc1541271620(61126(27)42131218(2)3)3029(31(38)217102522(1521)1419(4)4325)32(39)33(40)37(30)3436249823(35)1728(24)4434h61115193038H51214H214H3b3129+
MFCD07202313
ZINC000102615517
ZINC000102678847
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