Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK589175
SMILES COc1ccc(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 C24H21N3O7S MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7S/c1-12-25-26-24(35-12)27-20(13-4-6-15(31-2)17(10-13)32-3)19(22(29)23(27)30)21(28)14-5-7-16-18(11-14)34-9-8-33-16/h4-7,10-11,20,28H,8-9H2,1-3H3/b21-19+InChIKey
FWGIEQAYCXSQSJ-XUTLUUPISA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(34dimethoxyphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
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
COc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC24H21N3O7Sc112252624(3512)2720(134615(312)17(1013)323)19(22(29)23(27)30)21(28)14571618(1114)34983316h4710112028H89H213H3b2119+
MFCD07197390
ZINC000102604722
ZINC000102604726
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