Vitas-M small molecule compound
6-amino-8-(3-bromo-5-chloro-2-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Catalog ID
STK117210
SMILES N#CC1=C(N)Oc2c(C1c1cc(Cl)cc(c1OC)Br)cc1c(c2)OCO1
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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 C18H12BrClN2O4 MW 435.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN2O4/c1-23-17-10(2-8(20)3-12(17)19)16-9-4-14-15(25-7-24-14)5-13(9)26-18(22)11(16)6-21/h2-5,16H,7,22H2,1H3InChIKey
AGZRLKURHSYUDH-UHFFFAOYSA-NSynonyms
6AMINO8(3BROMO5CHLORO2METHOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
COC1=C(C=C(C=C1C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Cl)Br
InChI=1SC18H12BrClN2O4c1231710(28(20)312(17)19)16941415(2572414)513(9)2618(22)11(16)621h2516H722H21H3
MFCD04127782
ZINC000009805447
ZINC000012629280
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