Vitas-M small molecule compound
4-chloro-2-(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 thiophene-2-carboxylate (non-preferred name)
Catalog ID
STK286462
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)OC(=O)c1cccs1
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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 C29H18ClNO4S MW 511.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClNO4S/c30-15-11-12-21(35-29(34)22-10-5-13-36-22)20(14-15)31-27(32)25-23-16-6-1-2-7-17(16)24(26(25)28(31)33)19-9-4-3-8-18(19)23/h1-14,23-26HInChIKey
BEGDCUVHAOQMFC-UHFFFAOYSA-NSynonyms
4chloro2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylthiophene2carboxylate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)OC(=O)C7=CC=CS7
InChI=1SC29H18ClNO4Sc3015111221(3529(34)22105133622)20(1415)3127(32)252316612717(16)24(26(25)28(31)33)19943818(19)23h1142326H
MFCD03355565
ZINC000001095043
ZINC000018155677
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