Vitas-M small molecule compound
methyl (2E)-2-[4-(dimethylamino)benzylidene]-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL394867
SMILES COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)C)c(=O)/c(=C\c1ccc(cc1)N(C)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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-13-17(12-27(5)25-13)20-19(22(30)31-6)14(2)24-23-28(20)21(29)18(32-23)11-15-7-9-16(10-8-15)26(3)4/h7-12,20H,1-6H3/b18-11+InChIKey
QGVHEHLUFCSNMQ-WOJGMQOQSA-NSynonyms
1005694-29-01005694290
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)SC2=N1)C4=CN(N=C4C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)C)c(=O)c(=Cc1ccc(cc1)N(C)C)s2
InChI=1SC23H25N5O3Sc11317(1227(5)2513)2019(22(30)316)14(2)242328(20)21(29)18(3223)11157916(10815)26(3)4h71220H16H3b1811+
methyl(2E)2((4(dimethylamino)phenyl)methylidene)5(13dimethylpyrazol4yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)2(4(DIMETHYLAMINO)BENZYLIDENE)5(13DIMETHYL1HPYRAZOL4YL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04045979
ZINC000022532386
ZINC000022532391
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