Vitas-M small molecule compound
ethyl (2E)-5-(4-bromophenyl)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL395163
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1ccn(n1)CC)/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 C22H21BrN4O3S MW 501.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S/c1-4-26-11-10-16(25-26)12-17-20(28)27-19(14-6-8-15(23)9-7-14)18(21(29)30-5-2)13(3)24-22(27)31-17/h6-12,19H,4-5H2,1-3H3/b17-12+InChIKey
GGQGFWCJIWGZPM-SFQUDFHCSA-NSynonyms
1005648-67-81005648678
CCN1C=CC(=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)Br
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccn(n1)CC)s2
ETHYL(2E)5(4BROMOPHENYL)2((1ETHYL1HPYRAZOL3YL)METHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)5(4BROMOPHENYL)2((1ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H21BrN4O3Sc1426111016(2526)121720(28)2719(146815(23)9714)18(21(29)3052)13(3)2422(27)3117h61219H45H213H3b1712+
MFCD04046382
ZINC000002788430
ZINC000002788432
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