Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK955855
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1c(C)nn(c1C)C)/s2)C(=O)OC
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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/c1-12-17(14(3)26(4)25-12)11-18-21(28)27-20(15-7-9-16(30-5)10-8-15)19(22(29)31-6)13(2)24-23(27)32-18/h7-11,20H,1-6H3/b18-11+InChIKey
VBQSHFQPEZKBAL-WOJGMQOQSA-NSynonyms
492425-89-5492425895
CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3C)C)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1c(C)nn(c1C)C)s2)C(=O)OC
InChI=1SC23H24N4O4Sc11217(14(3)26(4)2512)111821(28)2720(157916(305)10815)19(22(29)316)13(2)2423(27)3218h71120H16H3b1811+
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((135trimethyl1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((135trimethylpyrazol4yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03073927
ZINC000000648045
ZINC000000648048
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