Vitas-M small molecule compound

4-({5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate

Catalog ID
STK282645
SMILES CC(=O)Oc1ccc(cc1)C(=O)Nc1nnc(s1)C1CC(=O)N(C1)c1ccc(c(c1)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-13-4-7-18(10-14(13)2)27-12-17(11-20(27)29)22-25-26-23(32-22)24-21(30)16-5-8-19(9-6-16)31-15(3)28/h4-10,17H,11-12H2,1-3H3,(H,24,26,30)
InChIKey
CFDJFTBDPLIIDG-UHFFFAOYSA-N
Synonyms
924971-35-7
(4((5(1(34dimethylphenyl)5oxopyrrolidin3yl)134thiadiazol2yl)carbamoyl)phenyl)acetate
4((5(1(34dimethylphenyl)5oxopyrrolidin3yl)134thiadiazol2yl)carbamoyl)phenylacetate
4(N(5(1(34DIMETHYLPHENYL)5OXOPYRROLIDIN3YL)134THIADIAZOL2YL)CARBAMOYL)PHENYLACETATE
924971357
CC1=C(C=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)OC(=O)C)C
InChI=1SC23H22N4O4Sc1134718(1014(13)2)271217(1120(27)29)22252623(3222)2421(30)165819(9616)3115(3)28h41017H1112H213H3(H242630)
MFCD09270404
ZINC000009198147
ZINC000009198152

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Available files

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