Vitas-M small molecule compound
N-{[3-(pentanoylamino)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK234356
SMILES CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc2c(c1)OCCO2
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-2-3-7-19(25)22-15-5-4-6-16(13-15)23-21(29)24-20(26)14-8-9-17-18(12-14)28-11-10-27-17/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3,(H,22,25)(H2,23,24,26,29)InChIKey
KLLQSLYNGHNYLY-UHFFFAOYSA-NSynonyms
CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3
InChI=1SC21H23N3O4Sc123719(25)221554616(1315)2321(29)2420(26)14891718(1214)2811102717h46891213H2371011H21H3(H2225)(H223242629)
MFCD03926112
N((3(pentanoylamino)phenyl)carbamothioyl)23dihydro14benzodioxine6carboxamide
ZINC000002837892
ZINC02837892
ZINC2837892
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