Vitas-M small molecule compound
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL392852
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cnn(c1)C)/s2
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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/c1-5-30-21(28)18-13(2)24-22-26(19(18)15-6-8-16(29-4)9-7-15)20(27)17(31-22)10-14-11-23-25(3)12-14/h6-12,19H,5H2,1-4H3/b17-10-InChIKey
LCWAIOOZNMSNSX-YVLHZVERSA-NSynonyms
492427-53-9492427539
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cnn(c1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CN(N=C4)C)S2)C
ETHYL(2Z)5(4METHOXYPHENYL)7METHYL2((1METHYL1HPYRAZOL4YL)METHYLIDENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4METHOXYPHENYL)7METHYL2((1METHYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4METHOXYPHENYL)7METHYL2((1METHYL1HPYRAZOL4YL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O4Sc153021(28)1813(2)242226(19(18)156816(294)9715)20(27)17(3122)1014112325(3)1214h61219H5H214H3b1710
MFCD02243207
ZINC000001003050
ZINC000001003052
Check stock
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Check stock on Vitas-MAvailable files
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