Vitas-M small molecule compound
methyl S-benzyl-N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Catalog ID
STK289668
SMILES COC(=O)C(NC(=O)CSc1[nH]c(=O)c(c(n1)c1ccccc1)C#N)CSCc1ccccc1
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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 C24H22N4O4S2 MW 494.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S2/c1-32-23(31)19(14-33-13-16-8-4-2-5-9-16)26-20(29)15-34-24-27-21(17-10-6-3-7-11-17)18(12-25)22(30)28-24/h2-11,19H,13-15H2,1H3,(H,26,29)(H,27,28,30)InChIKey
PHDSYUYLTAHWDI-UHFFFAOYSA-NSynonyms
COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N
COC(=O)C(NC(=O)CSc1(nH)c(=O)c(c(n1)c1ccccc1)C#N)CSCc1ccccc1
InChI=1SC24H22N4O4S2c13223(31)19(143313168425916)2620(29)1534242721(17106371117)18(1225)22(30)2824h21119H1315H21H3(H2629)(H272830)
METHYL3BENZYLSULFANYL2((2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)PROPANOATE
methylSbenzylN(((5cyano6oxo4phenyl16dihydropyrimidin2yl)sulfanyl)acetyl)cysteinate
MFCD05858984
ZINC000012417335
ZINC000012417338
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