Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL339606
SMILES CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)c1CCCCc1s2
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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 C21H22ClN3O2S2 MW 448.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S2/c1-3-25-20(27)18-13-7-4-5-10-16(13)29-19(18)24-21(25)28-11-17(26)23-15-9-6-8-14(22)12(15)2/h6,8-9H,3-5,7,10-11H2,1-2H3,(H,23,26)InChIKey
UMYJMNSNQAWESF-UHFFFAOYSA-NSynonyms
618879-77-9618879779
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C(=CC=C3)Cl)C)SC4=C2CCCC4
InChI=1SC21H22ClN3O2S2c132520(27)18137451016(13)2919(18)2421(25)281117(26)231596814(22)12(15)2h689H3571011H212H3(H2326)
MFCD04012557
N(3chloro2methylphenyl)2((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(3chloro2methylphenyl)2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002403923
ZINC02403923
ZINC2403923
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