Vitas-M small molecule compound
ethyl (2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674215
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(o1)c1ccc(cc1Cl)[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 C27H19Cl2N3O6S MW 584.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl2N3O6S/c1-3-37-26(34)23-14(2)30-27-31(24(23)15-4-6-16(28)7-5-15)25(33)22(39-27)13-18-9-11-21(38-18)19-10-8-17(32(35)36)12-20(19)29/h4-13,24H,3H2,1-2H3/b22-13+InChIKey
WFSDLAAQYYIEPM-LPYMAVHISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl)S2)C
ethyl(2E)2((5(2chloro4nitrophenyl)furan2yl)methylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)5(4CHLOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H19Cl2N3O6Sc133726(34)2314(2)302731(24(23)154616(28)7515)25(33)22(3927)131891121(3818)1910817(32(35)36)1220(19)29h41324H3H212H3b2213+
MFCD01155572
ZINC000006489156
ZINC000100065876
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Check stock on Vitas-MAvailable files
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