Vitas-M small molecule compound
2-chloro-5-(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)benzoic acid (non-preferred name)
Catalog ID
STK661777
SMILES O=C1N(c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C25H16ClNO4 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClNO4/c26-18-10-9-12(11-17(18)25(30)31)27-23(28)21-19-13-5-1-2-6-14(13)20(22(21)24(27)29)16-8-4-3-7-15(16)19/h1-11,19-22H,(H,30,31)InChIKey
MNICPKYMSKCYEN-UHFFFAOYSA-NSynonyms
327033-56-72chloro5(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
327033567
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI=1SC25H16ClNO4c261810912(1117(18)25(30)31)2723(28)211913512614(13)20(22(21)24(27)29)16843715(16)19h1111922H(H3031)
MFCD01240502
ZINC000008443176
ZINC000008443179
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