Vitas-M small molecule compound
(E)-N-{[14-(3,4-dimethoxyphenyl)-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-phenylmethanimine
Catalog ID
STK270971
SMILES COc1cc(ccc1OC)C1c2c(ccc3c2cccc3)Oc2c1c1nc(nn1cn2)CO/N=C/c1ccccc1
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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 C32H25N5O4 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N5O4/c1-38-24-14-13-22(16-26(24)39-2)28-29-23-11-7-6-10-21(23)12-15-25(29)41-32-30(28)31-35-27(36-37(31)19-33-32)18-40-34-17-20-8-4-3-5-9-20/h3-17,19,28H,18H2,1-2H3/b34-17+InChIKey
POLRXYYRCQYUSE-KVAAJVFYSA-NSynonyms
844851-11-2(E)benzaldehydeO((14(34dimethoxyphenyl)14Hbenzo(56)chromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
(E)N((14(34dimethoxyphenyl)14Hbenzo(56)chromeno(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)1phenylmethanimine
844851112
COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CON=CC7=CC=CC=C7)OC
COc1cc(ccc1OC)C1c2c(ccc3c2cccc3)Oc2c1c1nc(nn1cn2)CON=Cc1ccccc1
InChI=1SC32H25N5O4c13824141322(1626(24)392)28292311761021(23)121525(29)413230(28)313527(3637(31)193332)18403417208435920h3171928H18H212H3b3417+
MFCD04164345
ZINC000097954209
ZINC000097954210
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