Vitas-M small molecule compound
3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK433465
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-2-3-10-4-7-13-14(8-10)28-20(17(13)18(22)24)23-19(25)15-11-5-6-12(9-11)16(15)21(26)27/h5-6,10-12,15-16H,2-4,7-9H2,1H3,(H2,22,24)(H,23,25)(H,26,27)InChIKey
BEJPIHKVXGDYOT-UHFFFAOYSA-NSynonyms
2((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H26N2O4Sc12310471314(810)2820(17(13)18(22)24)2319(25)15115612(911)16(15)21(26)27h5610121516H2479H21H3(H22224)(H2325)(H2627)
MFCD03385298
ZINC000101698976
ZINC000239275100
Check stock
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Check stock on Vitas-MAvailable files
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