Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484889
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)[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)19-9-4-5-10-20(19)28)25(32)22(38-27)14-18-11-12-21(37-18)16-7-6-8-17(13-16)31(34)35/h4-14,24H,3H2,1-2H3/b22-14-InChIKey
YLLSRIKOZBRWOJ-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)c1cccc(c1)(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(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL2((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H20ClN3O6Sc133626(33)2315(2)292730(24(23)199451020(19)28)25(32)22(3827)1418111221(3718)1676817(1316)31(34)35h41424H3H212H3b2214
MFCD01140584
ZINC000002918616
ZINC000002918621
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