Vitas-M small molecule compound
3-benzyl-2-(ethylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831012
SMILES CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C20H22N2OS2 MW 370.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2OS2/c1-2-24-20-21-18-17(15-11-7-4-8-12-16(15)25-18)19(23)22(20)13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3InChIKey
BWOUDYQVIMSELR-UHFFFAOYSA-NSynonyms
351159-95-0351159950
3benzyl2(ethylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2(ethylthio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3benzyl2ethylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC20H22N2OS2c122420211817(15117481216(15)2518)19(23)22(20)131495361014h356910H24781113H21H3
MFCD01958870
ZINC000000985708
ZINC00985708
ZINC985708
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