Vitas-M small molecule compound
3-(3-chloro-4-fluorophenyl)-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK435144
SMILES Clc1cc(ccc1F)n1c(C)nc2c(c1=O)c1CCCCCc1s2
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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 C18H16ClFN2OS MW 362.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN2OS/c1-10-21-17-16(12-5-3-2-4-6-15(12)24-17)18(23)22(10)11-7-8-14(20)13(19)9-11/h7-9H,2-6H2,1H3InChIKey
BUDVXWOEMIMKNW-UHFFFAOYSA-NSynonyms
3(3chloro4fluorophenyl)2methyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(3chloro4fluorophenyl)2methyl6789tetrahydro5Hcyclohepta(23)thieno(24d)pyrimidin4one
CC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC(=C(C=C4)F)Cl
InChI=1SC18H16ClFN2OSc110211716(125324615(12)2417)18(23)22(10)117814(20)13(19)911h79H26H21H3
MFCD03943485
ZINC000006861468
ZINC06861468
ZINC6861468
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