Vitas-M small molecule compound
2-tert-butyl 4-methyl 3-methyl-5-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898034
SMILES COC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)(C)C
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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 C23H25N3O5S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S/c1-13-17(21(28)30-6)19(32-18(13)22(29)31-23(3,4)5)24-12-16-14(2)25-26(20(16)27)15-10-8-7-9-11-15/h7-12,24H,1-6H3/b16-12+InChIKey
JLXULNYSOWPBID-FOWTUZBSSA-NSynonyms
2Otertbutyl4Omethyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
2tertbutyl4methyl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CC1=C(SC(=C1C(=O)OC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)OC(C)(C)C
COC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC(C)(C)C
InChI=1SC23H25N3O5Sc11317(21(28)306)19(3218(13)22(29)3123(34)5)24121614(2)2526(20(16)27)15108791115h71224H16H3b1612+
MFCD18172793
ZINC000044827048
ZINC44827048
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