Vitas-M small molecule compound
ethyl (2Z)-2-[(3-chloro-5-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK100365
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1c(Cl)nn(c1C)c1ccccc1)/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 C29H27ClN4O5S MW 579.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O5S/c1-6-39-28(36)24-16(2)31-29-33(25(24)18-12-13-21(37-4)22(14-18)38-5)27(35)23(40-29)15-20-17(3)34(32-26(20)30)19-10-8-7-9-11-19/h7-15,25H,6H2,1-5H3/b23-15-InChIKey
VGWYLIJOVYRDMU-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1c(Cl)nn(c1C)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=C(N(N=C4Cl)C5=CC=CC=C5)C)S2)C
ETHYL(2Z)2((3CHLORO5METHYL1PHENYL1HPYRAZOL4YL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((3CHLORO5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H27ClN4O5Sc163928(36)2416(2)312933(25(24)18121321(374)22(1418)385)27(35)23(4029)152017(3)34(3226(20)30)19108791119h71525H6H215H3b2315
MFCD03183909
ZINC000097959482
ZINC000097959483
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.