Vitas-M small molecule compound
(E)-N-{[7-(1,3-benzothiazol-2-yl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-(4-methoxyphenyl)methanimine
Catalog ID
STK627022
SMILES COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)n(c(c1C)C)c1nc2c(s1)cccc2
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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 C25H21N7O2S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N7O2S/c1-15-16(2)32(25-28-19-6-4-5-7-20(19)35-25)23-22(15)24-29-21(30-31(24)14-26-23)13-34-27-12-17-8-10-18(33-3)11-9-17/h4-12,14H,13H2,1-3H3/b27-12+InChIKey
XDNUTYVXYHKGNI-KKMKTNMSSA-NSynonyms
(E)4methoxybenzaldehydeO((7(benzo(d)thiazol2yl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
(E)N((7(13benzothiazol2yl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)methoxy)1(4methoxyphenyl)methanimine
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CON=CC4=CC=C(C=C4)OC)C5=NC6=CC=CC=C6S5)C
COc1ccc(cc1)C=NOCc1nn2c(n1)c1c(nc2)n(c(c1C)C)c1nc2c(s1)cccc2
InChI=1SC25H21N7O2Sc11516(2)32(252819645720(19)3525)2322(15)242921(3031(24)142623)133427121781018(333)11917h41214H13H213H3b2712+
MFCD08747319
ZINC000009305795
ZINC95101279
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