Vitas-M small molecule compound
propan-2-yl 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
STK249185
SMILES CC(OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)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 C28H21Br2NO4 MW 595.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Br2NO4/c1-15(2)35-26(34)16-11-13-17(14-12-16)31-24(32)22-23(25(31)33)28(30)19-8-4-3-7-18(19)27(22,29)20-9-5-6-10-21(20)28/h3-15,22-23H,1-2H3InChIKey
RSXQPXSRIYFPNQ-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC28H21Br2NO4c115(2)3526(34)16111317(141216)3124(32)2223(25(31)33)28(30)19843718(19)27(2229)209561021(20)28h3152223H12H3
MFCD01156469
propan2yl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002068092
ZINC000002068095
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