Vitas-M small molecule compound
ethyl 4-{3-[(E)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK199849
SMILES CCCN1C(=O)/C(=C\c2cc(n(c2c2ccccc2)c2ccc(cc2)C(=O)OCC)c2ccccc2)/C(=O)N(C1=S)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 C39H33N3O4S MW 639.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H33N3O4S/c1-3-24-40-36(43)33(37(44)42(39(40)47)31-18-12-7-13-19-31)25-30-26-34(27-14-8-5-9-15-27)41(35(30)28-16-10-6-11-17-28)32-22-20-29(21-23-32)38(45)46-4-2/h5-23,25-26H,3-4,24H2,1-2H3/b33-25+InChIKey
MCDDFRUKIUIAQO-INKHBPHZSA-NSynonyms
CCCN1C(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CC=C5)C(=O)N(C1=S)C6=CC=CC=C6
CCCN1C(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccc(cc2)C(=O)OCC)c2ccccc2)C(=O)N(C1=S)c1ccccc1
ETHYL4(3((E)(46DIOXO1PHENYL3PROPYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIPHENYLPYRROL1YL)BENZOATE
ETHYL4(3((E)(46DIOXO1PHENYL3PROPYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
InChI=1SC39H33N3O4Sc13244036(43)33(37(44)42(39(40)47)3118127131931)25302634(27148591527)41(35(30)2816106111728)32222029(212332)38(45)4642h5232526H3424H212H3b3325+
MFCD03729692
ZINC000097960986
ZINC97960986
Check stock
See real-time availability and sample size for STK199849 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.