Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK676195
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])C)/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 C29H25ClN4O5S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O5S/c1-5-39-28(36)25-17(3)31-29-33(26(25)22-8-6-7-9-23(22)30)27(35)24(40-29)15-19-14-16(2)32(18(19)4)20-10-12-21(13-11-20)34(37)38/h6-15,26H,5H2,1-4H3/b24-15-InChIKey
TVYRQLSMIVMNQS-IWIPYMOSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)(N+)(=O)(O))C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)(N+)(=O)(O))C)S2)C
ethyl(2Z)5(2chlorophenyl)2((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)2((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H25ClN4O5Sc153928(36)2517(3)312933(26(25)22867923(22)30)27(35)24(4029)15191416(2)32(18(19)4)20101221(131120)34(37)38h61526H5H214H3b2415
MFCD01140651
ZINC000002915560
ZINC000002915563
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.