Vitas-M small molecule compound
methyl (2Z)-2-{[(1,3-dioxo-2-azaspiro[4.4]non-2-yl)acetyl]imino}-5-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL407767
SMILES COC(=O)c1[nH]/c(=N/C(=O)CN2C(=O)CC3(C2=O)CCCC3)/sc1c1ccc(cc1)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 C21H20FN3O5S MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O5S/c1-30-18(28)16-17(12-4-6-13(22)7-5-12)31-20(24-16)23-14(26)11-25-15(27)10-21(19(25)29)8-2-3-9-21/h4-7H,2-3,8-11H2,1H3,(H,23,24,26)InChIKey
QASBJGXIFAVKFI-UHFFFAOYSA-NSynonyms
1630900-63-81630900638
COC(=O)c1(nH)c(=NC(=O)CN2C(=O)CC3(C2=O)CCCC3)sc1c1ccc(cc1)F
COC(=O)C1=C(SC(=N1)NC(=O)CN2C(=O)CC3(C2=O)CCCC3)C4=CC=C(C=C4)F
InChI=1SC21H20FN3O5Sc13018(28)1617(124613(22)7512)3120(2416)2314(26)112515(27)1021(19(25)29)823921h47H23811H21H3(H232426)
methyl(2Z)2(((13dioxo2azaspiro(44)non2yl)acetyl)imino)5(4fluorophenyl)23dihydro13thiazole4carboxylate
methyl2((2(13dioxo2azaspiro(44)nonan2yl)acetyl)amino)5(4fluorophenyl)13thiazole4carboxylate
MFCD30704896
ZINC000170622251
ZINC170622251
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