Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK956116
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1c[nH]nc1c1ccccc1)/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 C26H21ClN4O3S MW 505.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O3S/c1-3-34-25(33)21-15(2)29-26-31(23(21)17-9-11-19(27)12-10-17)24(32)20(35-26)13-18-14-28-30-22(18)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,28,30)/b20-13+InChIKey
SUKFWAXOMXHPFT-DEDYPNTBSA-NSynonyms
512810-48-9512810489
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1c(nH)nc1c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=C(NN=C4)C5=CC=CC=C5)S2)C
ethyl(2E)5(4chlorophenyl)7methyl3oxo2((3phenyl1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4chlorophenyl)7methyl3oxo2((5phenyl1Hpyrazol4yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4CHLOROPHENYL)7METHYL3OXO2((3PHENYL1HPYRAZOL4YL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H21ClN4O3Sc133425(33)2115(2)292631(23(21)1791119(27)121017)24(32)20(3526)131814283022(18)167546816h41423H3H212H3(H2830)b2013+
MFCD03465895
ZINC000008441755
ZINC000008441757
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