Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK567669
SMILES COc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C34H34N2O7S MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O7S/c1-18(2)10-11-41-23-8-6-21(16-25(23)40-5)30-28(31(37)22-7-9-24-26(17-22)43-13-12-42-24)32(38)33(39)36(30)34-35-29-20(4)14-19(3)15-27(29)44-34/h6-9,14-18,30,37H,10-13H2,1-5H3/b31-28+InChIKey
QDJLITPFNHGVSS-CCFHIKDMSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3methoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCCC(C)C)OC)C
COc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC34H34N2O7Sc118(2)101141238621(1625(23)405)3028(31(37)22792426(1722)4313124224)32(38)33(39)36(30)34352920(4)1419(3)1527(29)4434h6914183037H1013H215H3b3128+
MFCD05732580
ZINC000102548624
ZINC000102548631
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