Vitas-M small molecule compound
N-ethyl-1-(6-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-3-carboxamide
Catalog ID
STL093061
SMILES CCNC(=O)C1CCCN(C1)c1nc2c(s1)c(=O)n(cn2)CC(=O)Nc1cccc(c1)F
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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 C21H23FN6O3S MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN6O3S/c1-2-23-19(30)13-5-4-8-27(10-13)21-26-18-17(32-21)20(31)28(12-24-18)11-16(29)25-15-7-3-6-14(22)9-15/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3,(H,23,30)(H,25,29)InChIKey
QVXMRZDMOYHOIA-UHFFFAOYSA-NSynonyms
CCNC(=O)C1CCCN(C1)C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)F
InChI=1SC21H23FN6O3Sc122319(30)1354827(1013)21261817(3221)20(31)28(122418)1116(29)251573614(22)915h36791213H24581011H21H3(H2330)(H2529)
MFCD15135494
Nethyl1(6(2((3fluorophenyl)amino)2oxoethyl)7oxo67dihydro(13)thiazolo(45d)pyrimidin2yl)piperidine3carboxamide
Nethyl1(6(2(3fluoroanilino)2oxoethyl)7oxo(13)thiazolo(45d)pyrimidin2yl)piperidine3carboxamide
ZINC000033141199
ZINC000033141200
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