Vitas-M small molecule compound
4-[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobutanoic acid
Catalog ID
STK889116
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)CCC(=O)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 C28H32N2O7 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7/c1-34-21-10-8-17(15-23(21)36-3)14-18-6-5-7-20-27(18)29-30(25(31)12-13-26(32)33)28(20)19-9-11-22(35-2)24(16-19)37-4/h8-11,14-16,20,28H,5-7,12-13H2,1-4H3,(H,32,33)/b18-14+InChIKey
VYQJMTHVOPSRHB-NBVRZTHBSA-NSynonyms
4((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)4OXOBUTANOICACID
4((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)4oxobutanoicacid
COC1=C(C=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)CCC(=O)O)OC
COc1ccc(cc1OC)C=C1CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)CCC(=O)O
InChI=1SC28H32N2O7c1342110817(1523(21)363)14186572027(18)2930(25(31)121326(32)33)28(20)1991122(352)24(1619)374h81114162028H571213H214H3(H3233)b1814+
MFCD01627198
ZINC000000984851
ZINC000008431626
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