Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK080217
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O
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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 C24H26N4O6S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6S/c1-5-33-19-12-16(8-11-18(19)34-35(31,32)17-9-6-13(2)7-10-17)22(20-14(3)25-27-23(20)29)21-15(4)26-28-24(21)30/h6-12,22H,5H2,1-4H3,(H2,25,27,29)(H2,26,28,30)InChIKey
QCDJENTUMCYGBV-UHFFFAOYSA-NSynonyms
944791-37-1(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2ETHOXYPHENYL)4METHYLBENZENESULFONATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2ETHOXYPHENYL4METHYLBENZENESULFONATE
944791371
CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC24H26N4O6Sc1533191216(81118(19)3435(3132)179613(2)71017)22(2014(3)252723(20)29)2115(4)262824(21)30h61222H5H214H3(H2252729)(H2262830)
MFCD03296633
STK080217
ZINC000020084616
ZINC20084616
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