Vitas-M small molecule compound

ethyl (2E)-2-[(1-ethyl-1H-pyrazol-3-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
STL403074
SMILES CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccn(n2)CC)/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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-25-11-10-13(24-25)12-16-19(27)26-18-14-8-6-7-9-15(14)30-22(3,23-21(26)31-16)17(18)20(28)29-5-2/h6-12,17-18H,4-5H2,1-3H3/b16-12+
InChIKey
ROQWYKIZHBRCMY-FOWTUZBSSA-N
Synonyms
1025316-61-3
1025316613
CCN1C=CC(=N1)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OCC
CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccn(n2)CC)s1
ethyl(2E)2((1ethyl1Hpyrazol3yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
InChI=1SC22H22N4O4Sc1425111013(2425)121619(27)261814867915(14)3022(32321(26)3116)17(18)20(28)2952h6121718H45H213H3b1612+
MFCD04045974
ZINC000105543453
ZINC000105543456

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Available files

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