Vitas-M small molecule compound
3-[3-(heptadecan-9-yl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid
Catalog ID
STK367770
SMILES CCCCCCCCC(C1=NN(C(=O)C1)c1cccc(c1)S(=O)(=O)O)CCCCCCCC
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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 C26H42N2O4S MW 478.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H42N2O4S/c1-3-5-7-9-11-13-16-22(17-14-12-10-8-6-4-2)25-21-26(29)28(27-25)23-18-15-19-24(20-23)33(30,31)32/h15,18-20,22H,3-14,16-17,21H2,1-2H3,(H,30,31,32)InChIKey
XJVAPAGLXYPJIO-UHFFFAOYSA-NSynonyms
3(3(heptadecan9yl)5oxo45dihydro1Hpyrazol1yl)benzenesulfonicacid
3(3HEPTADECAN9YL5OXO4HPYRAZOL1YL)BENZENESULFONICACID
CCCCCCCCC(CCCCCCCC)C1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O
InChI=1SC26H42N2O4Sc1357911131622(171412108642)252126(29)28(2725)2318151924(2023)33(3031)32h15182022H314161721H212H3(H303132)
MFCD00328773
ZINC000102056407
ZINC102056407
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