Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzenesulfonate
Catalog ID
STK066345
SMILES Cc1n[nH]c(c1C(c1c(O)[nH]nc1C)c1ccc(cc1)OS(=O)(=O)c1ccccc1)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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-12-17(20(26)24-22-12)19(18-13(2)23-25-21(18)27)14-8-10-15(11-9-14)30-31(28,29)16-6-4-3-5-7-16/h3-11,19H,1-2H3,(H2,22,24,26)(H2,23,25,27)InChIKey
RZFNULRJHSROCF-UHFFFAOYSA-NSynonyms
900099-14-1(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)BENZENESULFONATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYLBENZENESULFONATE
900099141
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C4=C(NNC4=O)C
Cc1n(nH)c(c1C(c1c(O)(nH)nc1C)c1ccc(cc1)OS(=O)(=O)c1ccccc1)O
InChI=1SC21H20N4O5Sc11217(20(26)242212)19(1813(2)232521(18)27)1481015(11914)3031(2829)166435716h31119H12H3(H2222426)(H2232527)
MFCD03304289
STK066345
ZINC000009358633
ZINC09358633
ZINC9358633
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