Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484914
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)[N+](=O)[O-])/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 C21H16ClN3O6S MW 473.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O6S/c1-3-30-20(27)17-11(2)23-21-24(18(17)13-6-4-5-7-14(13)22)19(26)15(32-21)10-12-8-9-16(31-12)25(28)29/h4-10,18H,3H2,1-2H3/b15-10-InChIKey
WUXKZOZAYJXWNB-GDNBJRDFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)(N+)(=O)(O))S2)C
ethyl(2Z)5(2chlorophenyl)7methyl2((5nitrofuran2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL2((5NITROFURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H16ClN3O6Sc133020(27)1711(2)232124(18(17)13645714(13)22)19(26)15(3221)10128916(3112)25(28)29h41018H3H212H3b1510
MFCD01140631
ZINC000001198533
ZINC000001198536
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