Vitas-M small molecule compound
3-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK460355
SMILES CCC1CCc2c(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 C20H24N2O4S MW 388.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4S/c1-2-9-3-6-12-13(7-9)27-19(16(12)17(21)23)22-18(24)14-10-4-5-11(8-10)15(14)20(25)26/h4-5,9-11,14-15H,2-3,6-8H2,1H3,(H2,21,23)(H,22,24)(H,25,26)InChIKey
NAYFKERATFMCGJ-UHFFFAOYSA-NSynonyms
2((3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC20H24N2O4Sc129361213(79)2719(16(12)17(21)23)2218(24)14104511(810)15(14)20(25)26h459111415H2368H21H3(H22123)(H2224)(H2526)
MFCD03377104
ZINC000102319126
ZINC000239164859
Check stock
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