Vitas-M small molecule compound
ethyl 4-(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK192973
SMILES CCCCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)/C1=O
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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 C30H31N3O4S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4S/c1-5-7-8-21-9-13-25(14-10-21)33-28(35)26(27(34)31-30(33)38)18-23-17-19(3)32(20(23)4)24-15-11-22(12-16-24)29(36)37-6-2/h9-18H,5-8H2,1-4H3,(H,31,34,38)/b26-18-InChIKey
YFEUDLMKXHAFNM-ITYLOYPMSA-NSynonyms
332355-66-5(Z)ethyl4(3((1(4butylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
332355665
CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OCC)C)C(=O)NC2=S
CCCCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)C1=O
ETHYL4(3((Z)(1(4BUTYLPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL4(3((Z)(1(4BUTYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
ETHYL4(3((Z)(1(4BUTYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
InChI=1SC30H31N3O4Sc15782191325(141021)3328(35)26(27(34)3130(33)38)18231719(3)32(20(23)4)24151122(121624)29(36)3762h918H58H214H3(H313438)b2618
MFCD02195050
ZINC09311785
ZINC9311785
Check stock
See real-time availability and sample size for STK192973 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.