Vitas-M small molecule compound

2-(butan-2-yl)-N-[(2E)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

Catalog ID
STK658580
SMILES CCC(N1C(=O)c2c(C1=O)cc(cc2)C(=O)/N=c/1\[nH]nc(s1)C(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 C19H22N4O3S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3S/c1-6-10(2)23-15(25)12-8-7-11(9-13(12)16(23)26)14(24)20-18-22-21-17(27-18)19(3,4)5/h7-10H,6H2,1-5H3,(H,20,22,24)
InChIKey
JHFDOSFBAQIJKO-UHFFFAOYSA-N
Synonyms
1190264-67-5
2(butan2yl)N((2E)5tertbutyl134thiadiazol2(3H)ylidene)13dioxo23dihydro1Hisoindole5carboxamide
2butan2ylN(5tertbutyl134thiadiazol2yl)13dioxoisoindole5carboxamide
CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)C(C)(C)C
CCC(N1C(=O)c2c(C1=O)cc(cc2)C(=O)N=c1(nH)nc(s1)C(C)(C)C)C
Registry IDs
MFCD18168427
ZINC000036353926
ZINC000036353928

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.