Vitas-M small molecule compound
2-({[5-acetyl-6-(2-methoxynaphthalen-1-yl)-4-methyl-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL367516
SMILES COc1ccc2c(c1C1NC(=NC(=C1C(=O)C)C)SCc1ccccc1C#N)cccc2
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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 C26H23N3O2S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O2S/c1-16-23(17(2)30)25(24-21-11-7-6-8-18(21)12-13-22(24)31-3)29-26(28-16)32-15-20-10-5-4-9-19(20)14-27/h4-13,25H,15H2,1-3H3,(H,28,29)InChIKey
FTVVYLCMCNFUBV-UHFFFAOYSA-NSynonyms
2(((5acetyl6(2methoxynaphthalen1yl)4methyl16dihydropyrimidin2yl)sulfanyl)methyl)benzonitrile
2((5acetyl4(2methoxynaphthalen1yl)6methyl14dihydropyrimidin2yl)sulfanylmethyl)benzonitrile
CC1=C(C(N=C(N1)SCC2=CC=CC=C2C#N)C3=C(C=CC4=CC=CC=C43)OC)C(=O)C
InChI=1SC26H23N3O2Sc11623(17(2)30)25(24211176818(21)121322(24)313)2926(2816)3215201054919(20)1427h41325H15H213H3(H2829)
MFCD28951842
ZINC000009781512
ZINC000009781514
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