Vitas-M small molecule compound
methyl (2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL403466
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1c(C)nn(c1C)c1ccccc1)/s2)C(=O)OC
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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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-16-22(18(3)32(30-16)20-9-7-6-8-10-20)15-23-26(33)31-25(19-11-13-21(35-4)14-12-19)24(27(34)36-5)17(2)29-28(31)37-23/h6-15,25H,1-5H3/b23-15-InChIKey
GFFXENPVCVBNBC-HAHDFKILSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)C)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1c(C)nn(c1C)c1ccccc1)s2)C(=O)OC
InChI=1SC28H26N4O4Sc11622(18(3)32(3016)2097681020)152326(33)3125(19111321(354)141219)24(27(34)365)17(2)2928(31)3723h61525H15H3b2315
methyl(2Z)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2((35dimethyl1phenylpyrazol4yl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28952639
ZINC000002784072
ZINC000002784074
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