Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK596018
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)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 C25H23N3O8S MW 525.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O8S/c1-12-26-27-25(37-12)28-20(14-10-17(32-2)23(34-4)18(11-14)33-3)19(22(30)24(28)31)21(29)13-5-6-15-16(9-13)36-8-7-35-15/h5-6,9-11,20,29H,7-8H2,1-4H3/b21-19+InChIKey
ASQIYMHKNGEHBW-XUTLUUPISA-NSynonyms
573950-50-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)5(345trimethoxyphenyl)pyrrolidine23dione
573950502
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C(=C5)OC)OC)OC
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC25H23N3O8Sc112262725(3712)2820(141017(322)23(344)18(1114)333)19(22(30)24(28)31)21(29)13561516(913)36873515h569112029H78H214H3b2119+
MFCD07210429
ZINC000102619472
ZINC000102619479
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