Vitas-M small molecule compound
methyl (2Z)-2-{[(1,3-dioxo-2-azaspiro[4.4]non-2-yl)acetyl]imino}-5-(3-fluorophenyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL314640
SMILES COC(=O)c1[nH]/c(=N/C(=O)CN2C(=O)CC3(C2=O)CCCC3)/sc1c1cccc(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 C21H20FN3O5S MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O5S/c1-30-18(28)16-17(12-5-4-6-13(22)9-12)31-20(24-16)23-14(26)11-25-15(27)10-21(19(25)29)7-2-3-8-21/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,23,24,26)InChIKey
YGKYQBGJNVHTLZ-UHFFFAOYSA-NSynonyms
1574492-88-81574492888
COC(=O)c1(nH)c(=NC(=O)CN2C(=O)CC3(C2=O)CCCC3)sc1c1cccc(c1)F
COC(=O)C1=C(SC(=N1)NC(=O)CN2C(=O)CC3(C2=O)CCCC3)C4=CC(=CC=C4)F
InChI=1SC21H20FN3O5Sc13018(28)1617(1254613(22)912)3120(2416)2314(26)112515(27)1021(19(25)29)723821h469H23781011H21H3(H232426)
methyl(2Z)2(((13dioxo2azaspiro(44)non2yl)acetyl)imino)5(3fluorophenyl)23dihydro13thiazole4carboxylate
methyl2((2(13dioxo2azaspiro(44)nonan2yl)acetyl)amino)5(3fluorophenyl)13thiazole4carboxylate
MFCD28030827
ZINC000095476483
ZINC95476483
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