Vitas-M small molecule compound
methyl [(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK831044
SMILES COC(=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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-26-17(24)13-27-21-22-19-18(15-10-6-3-7-11-16(15)28-19)20(25)23(21)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3InChIKey
DHECUMOHOVQZSA-UHFFFAOYSA-NSynonyms
351161-52-9351161529
COC(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC21H22N2O3S2c12617(24)132721221918(15106371116(15)2819)20(25)23(21)12148425914h24589H3671013H21H3
methyl((3benzyl4oxo356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3benzyl4oxo456789hexahydro3Hcyclohepta(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((3benzyl4oxo6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
MFCD01876881
ZINC000002272147
ZINC02272147
ZINC2272147
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