Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK176821
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C28H27N3O5S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S/c1-4-36-27(34)23-20-12-8-9-13-22(20)37-26(23)30-16(2)14-18(17(30)3)15-21-24(32)29-28(35)31(25(21)33)19-10-6-5-7-11-19/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,29,32,35)/b21-15+InChIKey
NZYIKGZPNLDTKH-RCCKNPSSSA-NSynonyms
(Z)ethyl2(25dimethyl3((246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)N(C4=O)C5=CC=CC=C5)C
ethyl2(25dimethyl3((E)(246trioxo1phenyl13diazinan5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((E)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H27N3O5Sc143627(34)232012891322(20)3726(23)3016(2)1418(17(30)3)152124(32)2928(35)31(25(21)33)19106571119h5710111415H4891213H213H3(H293235)b2115+
MFCD01824885
ZINC000002299495
ZINC02299495
ZINC2299495
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