Vitas-M small molecule compound
3-(pyridin-2-ylmethyl)-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK438562
SMILES Sc1nc2sc3c(c2c(=O)n1Cc1ccccn1)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 C17H17N3OS2 MW 343.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3OS2/c21-16-14-12-7-2-1-3-8-13(12)23-15(14)19-17(22)20(16)10-11-6-4-5-9-18-11/h4-6,9H,1-3,7-8,10H2,(H,19,22)InChIKey
LIBOKSPISKWYEL-UHFFFAOYSA-NSynonyms
3(pyridin2ylmethyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(pyridin2ylmethyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=N4
InChI=1SC17H17N3OS2c211614127213813(12)2315(14)1917(22)20(16)101164591811h469H137810H2(H1922)
MFCD03945438
ZINC000017071731
ZINC17071731
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