Vitas-M small molecule compound
methyl 4-({2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK209089
SMILES COC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(c2ccccc2)c(c(=O)[nH]1)C#N)C
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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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-13(19(27)24-16-10-8-15(9-11-16)21(29)30-2)31-22-25-18(14-6-4-3-5-7-14)17(12-23)20(28)26-22/h3-11,13H,1-2H3,(H,24,27)(H,25,26,28)InChIKey
JYXNTGOUQYVLFD-UHFFFAOYSA-NSynonyms
830337-98-9830337989
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N
COC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(c2ccccc2)c(c(=O)(nH)1)C#N)C
InChI=1SC22H18N4O4Sc113(19(27)241610815(91116)21(29)302)31222518(146435714)17(1223)20(28)2622h31113H12H3(H2427)(H252628)
METHYL4((2((5CYANO6OXO4PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
METHYL4(2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)PROPANOYLAMINO)BENZOATE
MFCD06624489
ZINC000010034975
ZINC000010034977
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