Vitas-M small molecule compound
3-[(4-{[4-(propan-2-yl)phenyl]sulfonyl}piperazin-1-yl)carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK471335
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C)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 C23H30N2O5S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5S/c1-15(2)16-7-9-19(10-8-16)31(29,30)25-13-11-24(12-14-25)22(26)20-17-3-5-18(6-4-17)21(20)23(27)28/h3,5,7-10,15,17-18,20-21H,4,6,11-14H2,1-2H3,(H,27,28)InChIKey
KVCADAZCZCTMCC-UHFFFAOYSA-NSynonyms
2(4(4propan2ylphenyl)sulfonylpiperazine1carbonyl)bicyclo(222)oct5ene3carboxylicacid
3((4((4(PROPAN2YL)PHENYL)SULFONYL)PIPERAZIN1YL)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC23H30N2O5Sc115(2)167919(10816)31(2930)25131124(121425)22(26)20173518(6417)21(20)23(27)28h357101517182021H461114H212H3(H2728)
MFCD06024173
ZINC000102342422
ZINC000245240063
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