Vitas-M small molecule compound
pentyl 4-(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)benzoate (non-preferred name)
Catalog ID
STK268447
SMILES CCCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)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 C30H25Br2NO4 MW 623.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Br2NO4/c1-2-3-8-17-37-28(36)18-13-15-19(16-14-18)33-26(34)24-25(27(33)35)30(32)21-10-5-4-9-20(21)29(24,31)22-11-6-7-12-23(22)30/h4-7,9-16,24-25H,2-3,8,17H2,1H3InChIKey
UQTBTKHVMHXZKM-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC30H25Br2NO4c1238173728(36)18131519(161418)3326(34)2425(27(33)35)30(32)211054920(21)29(2431)2211671223(22)30h479162425H23817H21H3
MFCD01156472
pentyl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008449495
ZINC000008449499
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