Vitas-M small molecule compound
4-amino-2-({2-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)pyrimidine-5-carbonitrile
Catalog ID
STK336282
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ncc(c(n1)N)C#N
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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 C21H21N5OS MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS/c1-4-15-5-7-17(8-6-15)26-13(2)9-18(14(26)3)19(27)12-28-21-24-11-16(10-22)20(23)25-21/h5-9,11H,4,12H2,1-3H3,(H2,23,24,25)InChIKey
UXJKLOFIOGSVOL-UHFFFAOYSA-NSynonyms
4amino2((2(1(4ethylphenyl)25dimethyl1Hpyrrol3yl)2oxoethyl)sulfanyl)pyrimidine5carbonitrile
4amino2(2(1(4ethylphenyl)25dimethylpyrrol3yl)2oxoethyl)sulfanylpyrimidine5carbonitrile
CCC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=C(C(=N3)N)C#N)C
InChI=1SC21H21N5OSc14155717(8615)2613(2)918(14(26)3)19(27)122821241116(1022)20(23)2521h5911H412H213H3(H2232425)
MFCD09964650
ZINC000007462678
ZINC07462678
ZINC7462678
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