Vitas-M small molecule compound
methyl (2E)-2-{[3-(1,3-dioxo-2-azaspiro[4.4]non-2-yl)propanoyl]imino}-5-(3-fluorophenyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL312581
SMILES COC(=O)c1[nH]/c(=N\C(=O)CCN2C(=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 C22H22FN3O5S MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O5S/c1-31-19(29)17-18(13-5-4-6-14(23)11-13)32-21(25-17)24-15(27)7-10-26-16(28)12-22(20(26)30)8-2-3-9-22/h4-6,11H,2-3,7-10,12H2,1H3,(H,24,25,27)InChIKey
YNGTWLAHSHTTIB-UHFFFAOYSA-NSynonyms
1574378-97-41574378974
COC(=O)c1(nH)c(=NC(=O)CCN2C(=O)CC3(C2=O)CCCC3)sc1c1cccc(c1)F
COC(=O)C1=C(SC(=N1)NC(=O)CCN2C(=O)CC3(C2=O)CCCC3)C4=CC(=CC=C4)F
InChI=1SC22H22FN3O5Sc13119(29)1718(1354614(23)1113)3221(2517)2415(27)7102616(28)1222(20(26)30)823922h4611H2371012H21H3(H242527)
methyl(2E)2((3(13dioxo2azaspiro(44)non2yl)propanoyl)imino)5(3fluorophenyl)23dihydro13thiazole4carboxylate
methyl2(3(13dioxo2azaspiro(44)nonan2yl)propanoylamino)5(3fluorophenyl)13thiazole4carboxylate
MFCD28026741
ZINC000095474902
ZINC95474902
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