Vitas-M small molecule compound
N-(2-chloro-4-fluorobenzyl)-2-{[3-(2-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL075884
SMILES COc1ccccc1n1c(SCC(=O)NCc2ccc(cc2Cl)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/c1-30-18-5-3-2-4-17(18)27-21(29)20-16(8-9-31-20)26-22(27)32-12-19(28)25-11-13-6-7-14(24)10-15(13)23/h2-10H,11-12H2,1H3,(H,25,28)InChIKey
RDSQSRQUWNICTE-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NCC4=C(C=C(C=C4)F)Cl
InChI=1SC22H17ClFN3O3S2c13018532417(18)2721(29)2016(893120)2622(27)321219(28)2511136714(24)1015(13)23h210H1112H21H3(H2528)
MFCD18197136
N((2chloro4fluorophenyl)methyl)2(3(2methoxyphenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
N(2chloro4fluorobenzyl)2((3(2methoxyphenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067216380
ZINC67216380
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