Vitas-M small molecule compound
6-amino-8-{3-chloro-4-[(2-cyanobenzyl)oxy]-5-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Catalog ID
STK118880
SMILES N#CC1=C(N)Oc2c(C1c1cc(Cl)c(c(c1)OC)OCc1ccccc1C#N)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 C26H18ClN3O5 MW 487.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN3O5/c1-31-23-7-16(6-19(27)25(23)32-12-15-5-3-2-4-14(15)10-28)24-17-8-21-22(34-13-33-21)9-20(17)35-26(30)18(24)11-29/h2-9,24H,12-13,30H2,1H3InChIKey
KGCIFKOHJSKJMU-UHFFFAOYSA-NSynonyms
6AMINO8(3CHLORO4((2CYANOBENZYL)OXY)5METHOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
6AMINO8(3CHLORO4((2CYANOPHENYL)METHOXY)5METHOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Cl)OCC5=CC=CC=C5C#N
InChI=1SC26H18ClN3O5c13123716(619(27)25(23)321215532414(15)1028)241782122(34133321)920(17)3526(30)18(24)1129h2924H121330H21H3
MFCD04128351
ZINC000009805570
ZINC000012629624
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