Vitas-M small molecule compound
2-{3-[(Z)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Catalog ID
STK540917
SMILES CCN1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc(c(c2C#N)C)C)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-6-23-18(26)15(17(25)22-20(23)27)8-14-7-10(2)24(12(14)4)19-16(9-21)11(3)13(5)28-19/h7-8H,6H2,1-5H3,(H,22,25,27)/b15-8-InChIKey
DCWQXSCBTYXNME-NVNXTCNLSA-NSynonyms
1164462-59-2(Z)2(3((1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)45dimethylthiophene3carbonitrile
1164462592
2(3((Z)(1ETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
2(3((Z)(1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)45dimethylthiophene3carbonitrile
2(3(1ETHYL246TRIOXOTETRAHYDROPYRIMIDIN(5Z)YLIDENEMETHYL)25DIMETHYLPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C(=C(S3)C)C)C#N)C)C(=O)NC1=O
CCN1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2sc(c(c2C#N)C)C)C)C1=O
InChI=1SC20H20N4O3Sc162318(26)15(17(25)2220(23)27)814710(2)24(12(14)4)1916(921)11(3)13(5)2819h78H6H215H3(H222527)b158
MFCD03006654
ZINC000009058682
ZINC09058682
ZINC9058682
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.