Vitas-M small molecule compound
N-{5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STL261688
SMILES CCc1ccc(cc1)N1CC(CC1=O)c1nnc(s1)NC(=O)c1ccc2c(c1)OCO2
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-2-13-3-6-16(7-4-13)26-11-15(10-19(26)27)21-24-25-22(31-21)23-20(28)14-5-8-17-18(9-14)30-12-29-17/h3-9,15H,2,10-12H2,1H3,(H,23,25,28)InChIKey
CYIMRTRIZMSCCV-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20N4O4Sc12133616(7413)261115(1019(26)27)21242522(3121)2320(28)14581718(914)30122917h3915H21012H21H3(H232528)
MFCD09442858
N(5(1(4ethylphenyl)5oxopyrrolidin3yl)134thiadiazol2yl)13benzodioxole5carboxamide
ZINC000020578651
ZINC000020578655
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