Vitas-M small molecule compound
(E)-N-[(7-benzyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]-1-(3,4-dimethoxyphenyl)methanimine
Catalog ID
STK725552
SMILES COc1ccc(cc1OC)/C=N/OCc1nc2n(n1)cnc1c2c(c2ccccc2)c(n1Cc1ccccc1)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 C36H30N6O3 MW 594.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N6O3/c1-43-29-19-18-26(20-30(29)44-2)21-38-45-23-31-39-36-33-32(27-14-8-4-9-15-27)34(28-16-10-5-11-17-28)41(22-25-12-6-3-7-13-25)35(33)37-24-42(36)40-31/h3-21,24H,22-23H2,1-2H3/b38-21+InChIKey
KLGZADATOAUMRJ-BBUXEPKYSA-NSynonyms
(E)34dimethoxybenzaldehydeO((7benzyl89diphenyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
(E)N((7benzyl89diphenyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)1(34dimethoxyphenyl)methanimine
COC1=C(C=C(C=C1)C=NOCC2=NN3C=NC4=C(C3=N2)C(=C(N4CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)OC
COc1ccc(cc1OC)C=NOCc1nc2n(n1)cnc1c2c(c2ccccc2)c(n1Cc1ccccc1)c1ccccc1
InChI=1SC36H30N6O3c14329191826(2030(29)442)213845233139363332(27148491527)34(2816105111728)41(2225126371325)35(33)372442(36)4031h32124H2223H212H3b3821+
MFCD05732660
ZINC000002605240
ZINC102647365
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