Vitas-M small molecule compound
3-({2-[(5-propylthiophen-3-yl)carbonyl]hydrazinyl}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK435817
SMILES CCCc1scc(c1)C(=O)NNC(=O)C1C2CCC(C1C(=O)O)C=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 C18H22N2O4S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4S/c1-2-3-13-8-12(9-25-13)16(21)19-20-17(22)14-10-4-6-11(7-5-10)15(14)18(23)24/h4,6,8-11,14-15H,2-3,5,7H2,1H3,(H,19,21)(H,20,22)(H,23,24)InChIKey
FJCJOGAMRAYXOZ-UHFFFAOYSA-NSynonyms
2(((5PROPYLTHIOPHENE3CARBONYL)AMINO)CARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3((2((5propylthiophen3yl)carbonyl)hydrazinyl)carbonyl)bicyclo(222)oct5ene2carboxylicacid
3(N((5PROPYL3THIENYL)CARBONYLAMINO)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCCC1=CC(=CS1)C(=O)NNC(=O)C2C3CCC(C2C(=O)O)C=C3
InChI=1SC18H22N2O4Sc12313812(92513)16(21)192017(22)14104611(7510)15(14)18(23)24h468111415H2357H21H3(H1921)(H2022)(H2324)
MFCD03944171
ZINC000102220769
ZINC000239302498
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