Vitas-M small molecule compound
2-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK161266
SMILES Cc1cc(c(n1c1sc2c(c1C(=O)Nc1ccccc1)CCCC2)C)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C32H30N4O2S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2S/c1-20-18-23(19-27-21(2)34-36(31(27)38)25-14-8-5-9-15-25)22(3)35(20)32-29(26-16-10-11-17-28(26)39-32)30(37)33-24-12-6-4-7-13-24/h4-9,12-15,18-19H,10-11,16-17H2,1-3H3,(H,33,37)/b27-19+InChIKey
BOKXRBGWQVCAFW-ZXVVBBHZSA-NSynonyms
(Z)2(25dimethyl3((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)1Hpyrrol1yl)Nphenyl4567tetrahydrobenzo(b)thiophene3carboxamide
2(25dimethyl3((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)1Hpyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2(25dimethyl3((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)pyrrol1yl)Nphenyl4567tetrahydro1benzothiophene3carboxamide
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)C=C5C(=NN(C5=O)C6=CC=CC=C6)C
Cc1cc(c(n1c1sc2c(c1C(=O)Nc1ccccc1)CCCC2)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC32H30N4O2Sc1201823(192721(2)3436(31(27)38)25148591525)22(3)35(20)3229(261610111728(26)3932)30(37)3324126471324h4912151819H10111617H213H3(H3337)b2719+
MFCD02182889
ZINC000008451444
ZINC08451444
ZINC8451444
Check stock
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Check stock on Vitas-MAvailable files
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