Vitas-M small molecule compound

5-methyl-2-(propan-2-yl)cyclohexyl (1,8-dibromo-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)acetate (non-preferred name)

Catalog ID
STK268608
SMILES CC1CCC(C(C1)OC(=O)CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)C(C)C

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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 C30H31Br2NO4 MW 629.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31Br2NO4/c1-16(2)18-13-12-17(3)14-23(18)37-24(34)15-33-27(35)25-26(28(33)36)30(32)20-9-5-4-8-19(20)29(25,31)21-10-6-7-11-22(21)30/h4-11,16-18,23,25-26H,12-15H2,1-3H3
InChIKey
GMUKPJZLJWYQAV-UHFFFAOYSA-N
Synonyms

5methyl2(propan2yl)cyclohexyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CC1CCC(C(C1)OC(=O)CN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br)C(C)C
InChI=1SC30H31Br2NO4c116(2)18131217(3)1423(18)3724(34)153327(35)2526(28(33)36)30(32)20954819(20)29(2531)2110671122(21)30h4111618232526H1215H213H3
MFCD01174722
ZINC000004174949
ZINC000239306162

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Available files

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