Vitas-M small molecule compound

2'-amino-5-bromo-6'-(hydroxymethyl)-1-methyl-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile

Catalog ID
STK775188
SMILES N#CC1=C(N)Oc2c(C31c1cc(Br)ccc1N(C3=O)C)oc(cc2=O)CO

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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 C18H12BrN3O5 MW 430.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O5/c1-22-12-3-2-8(19)4-10(12)18(17(22)25)11(6-20)16(21)27-14-13(24)5-9(7-23)26-15(14)18/h2-5,23H,7,21H2,1H3
InChIKey
YQJRUZKPRIDQAY-UHFFFAOYSA-N
Synonyms

2amino5bromo6(hydroxymethyl)1methyl28dioxo12dihydro8Hspiro(indole34pyrano(32b)pyran)3carbonitrile
2AMINO5BROMO6(HYDROXYMETHYL)1METHYL28DIOXOSPIRO(INDOLE34PYRANO(32B)PYRAN)3CARBONITRILE
CN1C2=C(C=C(C=C2)Br)C3(C1=O)C(=C(OC4=C3OC(=CC4=O)CO)N)C#N
InChI=1SC18H12BrN3O5c12212328(19)410(12)18(17(22)25)11(620)16(21)271413(24)59(723)2615(14)18h2523H721H21H3
MFCD05256873
ZINC000001421798
ZINC000001421799

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Available files

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