Vitas-M small molecule compound

2-(3,4-dimethoxybenzyl)-9,9-dimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one

Catalog ID
STK596200
SMILES COc1ccc(cc1OC)Cc1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C

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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 C28H27N5O4 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4/c1-28(2)12-18(34)24-21(13-28)37-27-25(23(24)17-6-5-9-29-14-17)26-31-22(32-33(26)15-30-27)11-16-7-8-19(35-3)20(10-16)36-4/h5-10,14-15,23H,11-13H2,1-4H3
InChIKey
FNQOWVMRVHBFEB-UHFFFAOYSA-N
Synonyms
902030-96-0
2(34dimethoxybenzyl)99dimethyl12(pyridin3yl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2(34dimethoxybenzyl)99dimethyl12(pyridin3yl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
902030960
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CC5=CC(=C(C=C5)OC)OC)C6=CN=CC=C6)C(=O)C1)C
InChI=1SC28H27N5O4c128(2)1218(34)2421(1328)372725(23(24)17659291417)263122(3233(26)153027)11167819(353)20(1016)364h510141523H1113H214H3
MFCD06787431
ZINC000009302791
ZINC000009302792

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Available files

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