Vitas-M small molecule compound
3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK466957
SMILES N#Cc1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc2c1CCCCC2
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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 C18H20N2O4S MW 360.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O4S/c19-8-10-9-4-2-1-3-5-13(9)25-17(10)20-16(21)14-11-6-7-12(24-11)15(14)18(22)23/h11-12,14-15H,1-7H2,(H,20,21)(H,22,23)InChIKey
RYXMVXQAXNBIMW-UHFFFAOYSA-NSynonyms
2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC18H20N2O4Sc1981094213513(9)2517(10)2016(21)14116712(2411)15(14)18(22)23h11121415H17H2(H2021)(H2223)
MFCD06060291
ZINC000225747637
ZINC000239203212
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