Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK591396
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C(C)(C)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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-14-27-28-25(35-14)29-21(15-5-8-17(9-6-15)26(2,3)4)20(23(31)24(29)32)22(30)16-7-10-18-19(13-16)34-12-11-33-18/h5-10,13,21,30H,11-12H2,1-4H3/b22-20+InChIKey
APRNLYHPXBFAID-LSDHQDQOSA-NSynonyms
586990-60-5(4E)5(4tertbutylphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
586990605
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)C(C)(C)C
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)C(C)(C)C
InChI=1SC26H25N3O5Sc114272825(3514)2921(155817(9615)26(23)4)20(23(31)24(29)32)22(30)167101819(1316)3412113318h510132130H1112H214H3b2220+
MFCD07201209
ZINC000102608665
ZINC000102608671
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