Vitas-M small molecule compound

(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STK570235
SMILES COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C31H27N3O6S MW 569.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6S/c1-17-13-22-14-21(10-11-23(22)40-17)28(35)26-27(34(30(37)29(26)36)31-33-32-18(2)41-31)20-9-12-24(25(15-20)38-3)39-16-19-7-5-4-6-8-19/h4-12,14-15,17,27,35H,13,16H2,1-3H3/b28-26+
InChIKey
GKFCYGSISOMEGX-BYCLXTJYSA-N
Synonyms
897835-51-7
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3methoxy4phenylmethoxyphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
(4E)5(4(benzyloxy)3methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
897835517
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC31H27N3O6Sc11713221421(101123(22)4017)28(35)2627(34(30(37)29(26)36)31333218(2)4131)2091224(25(1520)383)3916197546819h4121415172735H1316H213H3b2826+
MFCD07198710
ZINC000102561312
ZINC000102654615

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Available files

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