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}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK075581
SMILES CCN1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-25-20(28)16(19(27)24-22(25)29)10-14-9-12(2)26(13(14)3)21-17(11-23)15-7-5-6-8-18(15)30-21/h9-10H,4-8H2,1-3H3,(H,24,27,29)/b16-10-InChIKey
GORNQSBZZYDJBC-YBEGLDIGSA-NSynonyms
2(3((Z)(1ethyl246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C(=O)NC1=O
CCN1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O
InChI=1SC22H22N4O3Sc142520(28)16(19(27)2422(25)29)1014912(2)26(13(14)3)2117(1123)15756818(15)3021h910H48H213H3(H242729)b1610
MFCD03306202
STK075581
ZINC000009659763
ZINC09659763
ZINC9659763
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