Vitas-M small molecule compound

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

Catalog ID
STK698269
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)c1ccccc1[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)17-8-4-6-10-19(17)28)25(32)22(38-27)14-16-12-13-21(37-16)18-9-5-7-11-20(18)31(34)35/h4-14,24H,3H2,1-2H3/b22-14-
InChIKey
XHMWNEJMIDJQNK-HMAPJEAMSA-N
Synonyms
370843-49-5
(Z)ethyl5(2chlorophenyl)7methyl2((5(2nitrophenyl)furan2yl)methylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
370843495
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))S2)C
ethyl(2Z)5(2chlorophenyl)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL2((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2CHLOROPHENYL)7METHYL2((5(2NITROPHENYL)(2FURYL))METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H20ClN3O6Sc133626(33)2315(2)292730(24(23)178461019(17)28)25(32)22(3827)1416121321(3716)189571120(18)31(34)35h41424H3H212H3b2214
MFCD01140580
ZINC000002309449
ZINC000002309451

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Available files

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