Vitas-M small molecule compound
3-(2,4,5-trimethoxyphenyl)-2,5,6,7-tetrahydro-4H-indazol-4-one
Catalog ID
STL245307
SMILES COc1cc(OC)c(cc1c1[nH]nc2c1C(=O)CCC2)OC
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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 C16H18N2O4 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4/c1-20-12-8-14(22-3)13(21-2)7-9(12)16-15-10(17-18-16)5-4-6-11(15)19/h7-8H,4-6H2,1-3H3,(H,17,18)InChIKey
MTDGUCVQUYPXDP-UHFFFAOYSA-NSynonyms
1374551-11-71374551117
3(245trimethoxyphenyl)1567tetrahydroindazol4one
3(245trimethoxyphenyl)2567tetrahydro4Hindazol4one
3(245trimethoxyphenyl)67dihydro1Hindazol4(5H)one
COC1=CC(=C(C=C1C2=NNC3=C2C(=O)CCC3)OC)OC
COc1cc(OC)c(cc1c1(nH)nc2c1C(=O)CCC2)OC
COc1cc(OC)c(cc1c1n(nH)c2c1C(=O)CCC2)OC
InChI=1SC16H18N2O4c12012814(223)13(212)79(12)161510(171816)54611(15)19h78H46H213H3(H1718)
MFCD24860219
ZINC000072406226
ZINC72406226
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