Vitas-M small molecule compound
methyl (2Z)-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL392683
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2ccnn2CC)/s1
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-4-24-12(9-10-22-24)11-15-18(26)25-17-13-7-5-6-8-14(13)29-21(2,23-20(25)30-15)16(17)19(27)28-3/h5-11,16-17H,4H2,1-3H3/b15-11-InChIKey
IBFWTLLPWROWPT-PTNGSMBKSA-NSynonyms
1024696-21-61024696216
CCN1C(=CC=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccnn2CC)s1
InChI=1SC21H20N4O4Sc142412(9102224)111518(26)251713756814(13)2921(22320(25)3015)16(17)19(27)283h5111617H4H213H3b1511
methyl(2Z)2((1ethyl1Hpyrazol5yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04046410
ZINC000017093913
ZINC000035678772
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