Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL029032
SMILES COc1ccccc1Cn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)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 C22H17ClFN3O3S2 MW 489.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN3O3S2/c1-30-18-5-3-2-4-13(18)11-27-21(29)20-17(8-9-31-20)26-22(27)32-12-19(28)25-14-6-7-16(24)15(23)10-14/h2-10H,11-12H2,1H3,(H,25,28)InChIKey
SEBFPSBXNWAFTM-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl
InChI=1SC22H17ClFN3O3S2c13018532413(18)112721(29)2017(893120)2622(27)321219(28)25146716(24)15(23)1014h210H1112H21H3(H2528)
MFCD18189372
N(3chloro4fluorophenyl)2((3(2methoxybenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro4fluorophenyl)2(3((2methoxyphenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067689814
ZINC67689814
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