Vitas-M small molecule compound

ethyl (2E)-5-(2-chlorophenyl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK706321
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C\c1ccc(o1)c1ccc(cc1)[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 C27H20ClN3O6S MW 549.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O6S/c1-3-36-26(33)23-15(2)29-27-30(24(23)19-6-4-5-7-20(19)28)25(32)22(38-27)14-18-12-13-21(37-18)16-8-10-17(11-9-16)31(34)35/h4-14,24H,3H2,1-2H3/b22-14+
InChIKey
MIOSMIXKGLLBLP-HYARGMPZSA-N
Synonyms
358653-48-2
(E)ethyl5(2chlorophenyl)7methyl2((5(4nitrophenyl)furan2yl)methylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
358653482
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O))S2)C
ethyl(2E)5(2chlorophenyl)7methyl2((5(4nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(2chlorophenyl)7methyl2((5(4nitrophenyl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H20ClN3O6Sc133626(33)2315(2)292730(24(23)19645720(19)28)25(32)22(3827)1418121321(3718)1681017(11916)31(34)35h41424H3H212H3b2214+
MFCD01956296
ZINC000100641595
ZINC000100641599

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Available files

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