Vitas-M small molecule compound
ethyl (2Z)-2-{[5-(4-chloro-2-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
STK522591
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1[N+](=O)[O-])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 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(29)12-20(19)32(35)36/h4-13,24H,3H2,1-2H3/b22-13-InChIKey
SCQMNFDZMOSBFM-XKZIYDEJSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))Cl)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)Cl)(N+)(=O)(O))S2)C
ethyl(2Z)2((5(4chloro2nitrophenyl)furan2yl)methylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5(4CHLORO2NITROPHENYL)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(29)1220(19)32(35)36h41324H3H212H3b2213
MFCD01592397
ZINC000003002331
ZINC000003002333
Check stock
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Check stock on Vitas-MAvailable files
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