Vitas-M small molecule compound
6-amino-8-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Catalog ID
STL375555
SMILES C=CCOc1c(Cl)cc(cc1OCC)C1C(=C(N)Oc2c1cc1OCOc1c2)C#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 C22H19ClN2O5 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5/c1-3-5-27-21-15(23)6-12(7-19(21)26-4-2)20-13-8-17-18(29-11-28-17)9-16(13)30-22(25)14(20)10-24/h3,6-9,20H,1,4-5,11,25H2,2H3InChIKey
BXXCAKHUMACMBJ-UHFFFAOYSA-NSynonyms
(8R)6AMINO8(3CHLORO5ETHOXY4(PROP2EN1YLOXY)PHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
6amino8(3chloro5ethoxy4(prop2en1yloxy)phenyl)8H(13)dioxolo(45g)chromene7carbonitrile
6AMINO8(3CHLORO5ETHOXY4PROP2ENOXYPHENYL)8H(13)DIOXOLO(45G)CHROMENE7CARBONITRILE
6AMINO8(3CHLORO5ETHOXY4PROP2ENYLOXYPHENYL)2H8H13DIOXOLANO(45G)CHROMENE7CARBONITRILE
CCOC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Cl)OCC=C
InChI=1SC22H19ClN2O5c135272115(23)612(719(21)2642)201381718(29112817)916(13)3022(25)14(20)1024h36920H1451125H22H3
MFCD03996635
ZINC000002502507
ZINC000002502508
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