Vitas-M small molecule compound
2-amino-3-cyano-4-(3-nitrophenyl)-4H-chromen-7-yl 4-propoxybenzoate
Catalog ID
STK912975
SMILES CCCOc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(=C(C2c1cccc(c1)[N+](=O)[O-])C#N)N
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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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-2-12-33-19-8-6-16(7-9-19)26(30)34-20-10-11-21-23(14-20)35-25(28)22(15-27)24(21)17-4-3-5-18(13-17)29(31)32/h3-11,13-14,24H,2,12,28H2,1H3InChIKey
CESJYCKBDJEMLG-UHFFFAOYSA-NSynonyms
(2amino3cyano4(3nitrophenyl)4Hchromen7yl)4propoxybenzoate
2amino3cyano4(3nitrophenyl)4Hchromen7yl4propoxybenzoate
CCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(C(=C(O3)N)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
CCCOc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(=C(C2c1cccc(c1)(N+)(=O)(O))C#N)N
InChI=1SC26H21N3O6c121233198616(7919)26(30)342010112123(1420)3525(28)22(1527)24(21)1743518(1317)29(31)32h311131424H21228H21H3
MFCD07427933
ZINC000008917418
ZINC000008917419
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