Vitas-M small molecule compound
3-({4-[(4-tert-butylphenyl)sulfonyl]piperazin-1-yl}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471149
SMILES OC(=O)C1C2C=CC(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/c1-23(2,3)17-6-8-18(9-7-17)31(29,30)25-12-10-24(11-13-25)21(26)19-15-4-5-16(14-15)20(19)22(27)28/h4-9,15-16,19-20H,10-14H2,1-3H3,(H,27,28)InChIKey
SHEWWNRKBLXNOI-UHFFFAOYSA-NSynonyms
2(4(4tertbutylphenyl)sulfonylpiperazine1carbonyl)bicyclo(221)hept5ene3carboxylicacid
3((4((4(TERTBUTYL)PHENYL)SULFONYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((4((4tertbutylphenyl)sulfonyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC23H30N2O5Sc123(23)176818(9717)31(2930)25121024(111325)21(26)19154516(1415)20(19)22(27)28h4915161920H1014H213H3(H2728)
MFCD06024243
ZINC000102404986
ZINC000239203392
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