Vitas-M small molecule compound
1-[(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)sulfonyl]piperidine
Catalog ID
STK671279
SMILES Fc1ccc(cc1)C1CC(=NN1c1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cccc(c1)[N+](=O)[O-]
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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 C29H26FN5O4S2 MW 591.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN5O4S2/c30-23-11-7-21(8-12-23)28-18-26(22-5-4-6-24(17-22)35(36)37)32-34(28)29-31-27(19-40-29)20-9-13-25(14-10-20)41(38,39)33-15-2-1-3-16-33/h4-14,17,19,28H,1-3,15-16,18H2InChIKey
AWSXJYQYMKLULM-UHFFFAOYSA-NSynonyms
1((4(2(5(4fluorophenyl)3(3nitrophenyl)45dihydro1Hpyrazol1yl)13thiazol4yl)phenyl)sulfonyl)piperidine
2(3(4FLUOROPHENYL)5(3NITROPHENYL)34DIHYDROPYRAZOL2YL)4(4PIPERIDIN1YLSULFONYLPHENYL)13THIAZOLE
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4C(CC(=N4)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=C(C=C6)F
Fc1ccc(cc1)C1CC(=NN1c1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC29H26FN5O4S2c302311721(81223)281826(2254624(1722)35(36)37)3234(28)293127(194029)2091325(141020)41(3839)33152131633h414171928H13151618H2
MFCD00747732
ZINC000097966073
ZINC000097966074
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