Vitas-M small molecule compound
methyl (2Z)-2-(4-chlorobenzylidene)-7-methyl-5-(2-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK981523
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1[N+](=O)[O-])c(=O)/c(=C/c1ccc(cc1)Cl)/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 C22H16ClN3O5S MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O5S/c1-12-18(21(28)31-2)19(15-5-3-4-6-16(15)26(29)30)25-20(27)17(32-22(25)24-12)11-13-7-9-14(23)10-8-13/h3-11,19H,1-2H3/b17-11-InChIKey
BAZYVISFLBKOFN-BOPFTXTBSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=N1)C4=CC=CC=C4(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1(N+)(=O)(O))c(=O)c(=Cc1ccc(cc1)Cl)s2
InChI=1SC22H16ClN3O5Sc11218(21(28)312)19(15534616(15)26(29)30)2520(27)17(3222(25)2412)11137914(23)10813h31119H12H3b1711
methyl(2Z)2((4chlorophenyl)methylidene)7methyl5(2nitrophenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(4chlorobenzylidene)7methyl5(2nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD18181332
ZINC000039036103
ZINC000039036104
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