Vitas-M small molecule compound
3-({4-ethyl-5-methyl-3-[(pyridin-3-ylmethyl)carbamoyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471313
SMILES CCc1c(C)sc(c1C(=O)NCc1cccnc1)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-3-16-12(2)31-22(19(16)20(27)25-11-13-5-4-8-24-10-13)26-21(28)17-14-6-7-15(9-14)18(17)23(29)30/h4-8,10,14-15,17-18H,3,9,11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)InChIKey
QGTZLUDNVXNPKI-UHFFFAOYSA-NSynonyms
2((4ethyl5methyl3(pyridin3ylmethylcarbamoyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((4ethyl5methyl3((pyridin3ylmethyl)carbamoyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(4ETHYL5METHYL3(N(3PYRIDYLMETHYL)CARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC23H25N3O4Sc131612(2)3122(19(16)20(27)251113548241013)2621(28)17146715(914)18(17)23(29)30h481014151718H3911H212H3(H2527)(H2628)(H2930)
MFCD06025142
ZINC000102342314
ZINC000239174587
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