Vitas-M small molecule compound
3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK448129
SMILES Sc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cc1ccncc1)CCCCC3
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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 C23H21N3OS2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3OS2/c27-22-20-18-4-2-1-3-5-19(18)29-21(20)25-23(28)26(22)17-8-6-15(7-9-17)14-16-10-12-24-13-11-16/h6-13H,1-5,14H2,(H,25,28)InChIKey
LULFGDNGLMHXHC-UHFFFAOYSA-NSynonyms
3(4(pyridin4ylmethyl)phenyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(4(pyridin4ylmethyl)phenyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)C4=CC=C(C=C4)CC5=CC=NC=C5
InChI=1SC23H21N3OS2c272220184213519(18)2921(20)2523(28)26(22)178615(7917)1416101224131116h613H1514H2(H2528)
MFCD04138267
ZINC000006276568
ZINC06276568
ZINC6276568
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