Vitas-M small molecule compound
3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424249
SMILES N#Cc1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc2c1CCCC2
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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 C17H18N2O4S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S/c18-7-9-8-3-1-2-4-12(8)24-16(9)19-15(20)13-10-5-6-11(23-10)14(13)17(21)22/h10-11,13-14H,1-6H2,(H,19,20)(H,21,22)InChIKey
WZLCLOLLPJCYHV-UHFFFAOYSA-NSynonyms
2((3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4CCC(C3C(=O)O)O4)C#N
InChI=1SC17H18N2O4Sc18798312412(8)2416(9)1915(20)13105611(2310)14(13)17(21)22h10111314H16H2(H1920)(H2122)
MFCD01922724
ZINC000225608686
ZINC000239235927
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