Vitas-M small molecule compound
4-chloro-2-(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)phenyl furan-2-carboxylate (non-preferred name)
Catalog ID
STK286452
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OC(=O)c1ccco1
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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 C29H16Br2ClNO5 MW 653.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H16Br2ClNO5/c30-28-16-6-1-2-7-17(16)29(31,19-9-4-3-8-18(19)28)24-23(28)25(34)33(26(24)35)20-14-15(32)11-12-21(20)38-27(36)22-10-5-13-37-22/h1-14,23-24HInChIKey
DYOCXVYAUJUZGD-UHFFFAOYSA-NSynonyms
4chloro2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylfuran2carboxylate(nonpreferredname)
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)OC(=O)C7=CC=CO7)Br
InChI=1SC29H16Br2ClNO5c302816612717(16)29(3119943818(19)28)2423(28)25(34)33(26(24)35)201415(32)111221(20)3827(36)22105133722h1142324H
MFCD03355507
ZINC000097949162
ZINC000097949164
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