Vitas-M small molecule compound
1-acetyl-3-(3,4-diethoxybenzyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Catalog ID
STK683930
SMILES CCOc1cc(ccc1OCC)Cc1nn(c2c1C(=O)CC(C2)(C)C)C(=O)C
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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 C22H28N2O4 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4/c1-6-27-19-9-8-15(11-20(19)28-7-2)10-16-21-17(24(23-16)14(3)25)12-22(4,5)13-18(21)26/h8-9,11H,6-7,10,12-13H2,1-5H3InChIKey
FWPNTKIZHVWWRA-UHFFFAOYSA-NSynonyms
1ACETYL3((34DIETHOXYPHENYL)METHYL)66DIMETHYL57DIHYDROINDAZOL4ONE
1acetyl3(34diethoxybenzyl)66dimethyl1567tetrahydro4Hindazol4one
CCOC1=C(C=C(C=C1)CC2=NN(C3=C2C(=O)CC(C3)(C)C)C(=O)C)OCC
InChI=1SC22H28N2O4c1627199815(1120(19)2872)10162117(24(2316)14(3)25)1222(45)1318(21)26h8911H67101213H215H3
MFCD05259109
ZINC000001423601
ZINC01423601
ZINC1423601
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