Vitas-M small molecule compound
N-[4-(acetylamino)phenyl]-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK013110
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)c1CCCCc1s2
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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 C28H28N4O4S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S2/c1-3-36-21-14-12-20(13-15-21)32-27(35)25-22-6-4-5-7-23(22)38-26(25)31-28(32)37-16-24(34)30-19-10-8-18(9-11-19)29-17(2)33/h8-15H,3-7,16H2,1-2H3,(H,29,33)(H,30,34)InChIKey
JHONGRLBRWRUCB-UHFFFAOYSA-NSynonyms
498546-12-6498546126
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H28N4O4S2c133621141220(131521)3227(35)2522645723(22)3826(25)3128(32)371624(34)301910818(91119)2917(2)33h815H3716H212H3(H2933)(H3034)
MFCD03224516
N(4(acetylamino)phenyl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4acetamidophenyl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(4acetamidophenyl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK013110
ZINC000002234952
ZINC2234952
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.