Vitas-M small molecule compound
ethyl (2E)-7-methyl-3-oxo-5-(thiophen-2-yl)-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
STL394639
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1c(C)nn(c1C)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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-6-28-20(27)17-12(3)22-21-25(18(17)15-8-7-9-29-15)19(26)16(30-21)10-14-11(2)23-24(5)13(14)4/h7-10,18H,6H2,1-5H3/b16-10+InChIKey
DTCJRSHPFCSAFK-MHWRWJLKSA-NSynonyms
1005618-47-21005618472
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(C)nn(c1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(N(N=C4C)C)C)S2)C
ETHYL(2E)7METHYL3OXO5(THIOPHEN2YL)2((135TRIMETHYL1HPYRAZOL4YL)METHYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)7methyl3oxo5thiophen2yl2((135trimethylpyrazol4yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H22N4O3S2c162820(27)1712(3)222125(18(17)158792915)19(26)16(3021)101411(2)2324(5)13(14)4h71018H6H215H3b1610+
MFCD04136229
ZINC000019636764
ZINC000019636768
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