Vitas-M small molecule compound

2-chloro-5-(1-nitro-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
STK263993
SMILES OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1([N+](=O)[O-])c3c(C2c2c1cccc2)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 C25H15ClN2O6 MW 474.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15ClN2O6/c26-18-10-9-12(11-15(18)24(31)32)27-22(29)20-19-13-5-1-3-7-16(13)25(28(33)34,21(20)23(27)30)17-8-4-2-6-14(17)19/h1-11,19-21H,(H,31,32)
InChIKey
CKQQDWOFFFHIDO-UHFFFAOYSA-N
Synonyms

2chloro5(1nitro1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)(N+)(=O)(O))C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI=1SC25H15ClN2O6c261810912(1115(18)24(31)32)2722(29)201913513716(13)25(28(33)3421(20)23(27)30)17842614(17)19h1111921H(H3132)
MFCD05801635
OC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1((N+)(=O)(O))c3c(C2c2c1cccc2)cccc3
ZINC000009489294
ZINC000009489297

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Available files

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