Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-7-methyl-2-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676193
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1[N+](=O)[O-])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 C28H22ClN3O6S MW 564.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O6S/c1-4-37-27(34)24-16(3)30-28-31(25(24)18-7-5-6-8-20(18)29)26(33)23(39-28)14-17-10-12-22(38-17)19-11-9-15(2)13-21(19)32(35)36/h5-14,25H,4H2,1-3H3/b23-14-InChIKey
XMOJSWXWNQEUBM-UCQKPKSFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)C)(N+)(=O)(O))S2)C
ethyl(2Z)5(2chlorophenyl)7methyl2((5(4methyl2nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL2((5(4METHYL2NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22ClN3O6Sc143727(34)2416(3)302831(25(24)18756820(18)29)26(33)23(3928)1417101222(3817)1911915(2)1321(19)32(35)36h51425H4H213H3b2314
MFCD01140594
ZINC000002917677
ZINC000002917681
Check stock
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Check stock on Vitas-MAvailable files
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