Vitas-M small molecule compound
3-{[3-carbamoyl-5-(propan-2-yl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK468622
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1sc(cc1C(=O)N)C(C)C
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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 C16H20N2O5S MW 352.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O5S/c1-6(2)10-5-7(13(17)19)15(24-10)18-14(20)11-8-3-4-9(23-8)12(11)16(21)22/h5-6,8-9,11-12H,3-4H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)InChIKey
VDHKLNURAYLARL-UHFFFAOYSA-NSynonyms
2((3carbamoyl5propan2ylthiophen2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((3carbamoyl5(propan2yl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3CARBAMOYL5(METHYLETHYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC(C)C1=CC(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)O3)C(=O)N
InChI=1SC16H20N2O5Sc16(2)1057(13(17)19)15(2410)1814(20)118349(238)12(11)16(21)22h56891112H34H212H3(H21719)(H1820)(H2122)
MFCD06030623
ZINC000138818879
ZINC000225755467
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