Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL055861
SMILES COc1cc(ccc1OCCC(C)C)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 C34H34N2O6S MW 598.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O6S/c1-18(2)12-13-41-26-11-7-21(17-27(26)40-5)30-29(31(37)22-8-10-25-23(16-22)15-20(4)42-25)32(38)33(39)36(30)34-35-24-9-6-19(3)14-28(24)43-34/h6-11,14,16-18,20,30,37H,12-13,15H2,1-5H3/b31-29+InChIKey
HAKRXRLBKBWRLF-OWWNRXNESA-NSynonyms
893697-81-9(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3methoxy4(3methylbutoxy)phenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893697819
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)OCCC(C)C)OC)O
COc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC34H34N2O6Sc118(2)1213412611721(1727(26)405)3029(31(37)228102523(1622)1520(4)4225)32(38)33(39)36(30)3435249619(3)1428(24)4334h611141618203037H121315H215H3b3129+
MFCD05736400
ZINC000102894927
ZINC000102894933
Check stock
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