Vitas-M small molecule compound
1-benzyl-4-(4-ethoxyphenyl)-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one
Catalog ID
STK334098
SMILES CCOc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c(C)nn2Cc1ccccc1
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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 C26H26N2O3 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3/c1-3-30-20-14-12-19(13-15-20)24-23-17(2)27-28(16-18-8-5-4-6-9-18)26(23)31-22-11-7-10-21(29)25(22)24/h4-6,8-9,12-15,24H,3,7,10-11,16H2,1-2H3InChIKey
PCXKZZVQZOFXCA-UHFFFAOYSA-NSynonyms
1benzyl4(4ethoxyphenyl)3methyl4678tetrahydrochromeno(23c)pyrazol5(1H)one
1benzyl4(4ethoxyphenyl)3methyl4678tetrahydrochromeno(23c)pyrazol5one
CCOC1=CC=C(C=C1)C2C3=C(N(N=C3C)CC4=CC=CC=C4)OC5=C2C(=O)CCC5
InChI=1SC26H26N2O3c133020141219(131520)242317(2)2728(16188546918)26(23)31221171021(29)25(22)24h4689121524H37101116H212H3
MFCD09963447
ZINC000018196900
ZINC000018196902
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