Vitas-M small molecule compound
methyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-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
STL397704
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2c(C)nn(c2C)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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-6-26-13(3)15(12(2)25-26)11-17-20(28)27-19-14-9-7-8-10-16(14)31-23(4,24-22(27)32-17)18(19)21(29)30-5/h7-11,18-19H,6H2,1-5H3/b17-11+InChIKey
ORCHHDOYQLALFW-GZTJUZNOSA-NSynonyms
1025310-14-81025310148
CCN1C(=C(C(=N1)C)C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC)C
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2c(C)nn(c2C)CC)s1
InChI=1SC23H24N4O4Sc162613(3)15(12(2)2526)111720(28)2719149781016(14)3123(42422(27)3217)18(19)21(29)305h7111819H6H215H3b1711+
METHYL(2E)2((1ETHYL35DIMETHYL1HPYRAZOL4YL)METHYLIDENE)5METHYL1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
MFCD04049125
ZINC000020602311
ZINC000035677835
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