Vitas-M small molecule compound
3-({[3-(4-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL166932
SMILES COc1ccc(cc1)Cn1c(SCc2cccc(c2)C#N)nc2c(c1=O)scc2
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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 C22H17N3O2S2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O2S2/c1-27-18-7-5-15(6-8-18)13-25-21(26)20-19(9-10-28-20)24-22(25)29-14-17-4-2-3-16(11-17)12-23/h2-11H,13-14H2,1H3InChIKey
CSCFJCHORPUFLZ-UHFFFAOYSA-NSynonyms
3(((3(4methoxybenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)methyl)benzonitrile
3((3((4methoxyphenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylmethyl)benzonitrile
COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC(=C4)C#N
InChI=1SC22H17N3O2S2c127187515(6818)132521(26)2019(9102820)2422(25)29141742316(1117)1223h211H1314H21H3
MFCD20749222
ZINC000071768750
ZINC71768750
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