Vitas-M small molecule compound

6-amino-8-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

Catalog ID
STL375652
SMILES N#CC1=C(N)Oc2c(C1c1cc(I)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 C26H18IN3O5 MW 579.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18IN3O5/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,12-13,30H2,1H3
InChIKey
FPLFCZFDEVTNGG-UHFFFAOYSA-N
Synonyms

(8S)6AMINO8(4((2CYANOBENZYL)OXY)3IODO5METHOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
6amino8(4((2cyanobenzyl)oxy)3iodo5methoxyphenyl)8H(13)dioxolo(45g)chromene7carbonitrile
6AMINO8(4((2CYANOPHENYL)METHOXY)3IODO5METHOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)I)OCC5=CC=CC=C5C#N
InChI=1SC26H18IN3O5c13123716(619(27)25(23)321215532414(15)1028)241782122(34133321)920(17)3526(30)18(24)1129h2924H121330H21H3
MFCD03862198
ZINC000002093361
ZINC000002093362

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Available files

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