Vitas-M small molecule compound

heptyl 3-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)

Catalog ID
STK268712
SMILES CCCCCCCOC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3

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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 C32H30BrNO4 MW 572.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrNO4/c1-2-3-4-5-10-18-38-31(37)20-12-11-13-21(19-20)34-29(35)27-26-22-14-6-8-16-24(22)32(33,28(27)30(34)36)25-17-9-7-15-23(25)26/h6-9,11-17,19,26-28H,2-5,10,18H2,1H3
InChIKey
KPPKJQVKNLJVFH-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
heptyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC32H30BrNO4c1234510183831(37)2012111321(1920)3429(35)27262214681624(22)32(3328(27)30(34)36)2517971523(25)26h691117192628H251018H21H3
MFCD01179514
ZINC000002060728
ZINC000002060731
ZINC02060728

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Available files

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