Vitas-M small molecule compound
2-[(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK832657
SMILES NC(=O)CSc1nc2sc3c(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 C20H21N3O2S2 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S2/c21-16(24)12-26-20-22-18-17(14-9-5-2-6-10-15(14)27-18)19(25)23(20)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,21,24)InChIKey
HNJJAFVEEKUMSJ-UHFFFAOYSA-NSynonyms
372181-82-32((3benzyl4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
2((3benzyl4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetamide
2((3benzyl4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
372181823
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)CC4=CC=CC=C4
InChI=1SC20H21N3O2S2c2116(24)122620221817(1495261015(14)2718)19(25)23(20)11137314813h13478H256912H2(H22124)
MFCD01880417
ZINC000001186544
ZINC01186544
ZINC1186544
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