Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK161378
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-5-34-28(33)25-22-13-9-10-14-24(22)35-27(25)30-17(2)15-20(19(30)4)16-23-18(3)29-31(26(23)32)21-11-7-6-8-12-21/h6-8,11-12,15-16H,5,9-10,13-14H2,1-4H3/b23-16-InChIKey
NHUGZAQDORALSV-KQWNVCNZSA-NSynonyms
(Z)ethyl2(25dimethyl3((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=NN(C4=O)C5=CC=CC=C5)C)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=NN(C1=O)c1ccccc1)C
ethyl2(25dimethyl3((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H29N3O3Sc153428(33)2522139101424(22)3527(25)3017(2)1520(19(30)4)162318(3)2931(26(23)32)21117681221h6811121516H59101314H214H3b2316
MFCD02052490
ZINC000004211713
ZINC04211713
ZINC4211713
Check stock
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Check stock on Vitas-MAvailable files
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