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[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]acetic acid (non-preferred name)

Catalog ID
STK801802
SMILES OC(=O)C[C@@H]1OCC=C2[C@H]3[C@@H]1[C@@H]1NC4=C([N+](=O)[O-])C(=O)C(=O)C=C4[C@@]41[C@H](C3)N(C2)CC4

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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 C21H21N3O7 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1
InChIKey
IVEMPCACOMNRGI-OFDJEBHLSA-N
Synonyms
561-20-6
((4S12S13R14S19R21S)9nitro78dioxo15oxa111diazahexacyclo(16310~412~0~421~0~510~0~1319~)docosa5917trien14yl)aceticacid(nonpreferredname)
2((4bS7aS8aR13S13aR13bS)1nitro23dioxo23567a88a111313a13b14dodecahydro79methanooxepino(34a)pyrrolo(23d)carbazol13yl)aceticacid
23DIHYDRO4NITRO23DIOXO910SECOSTRYCHNIDIN10OICACID
561206
910SECOSTRYCHNIDIN10OICACID23DIHYDRO4NITRO23DIOXO(9CI)
C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)(N+)(=O)(O))CC(=O)O
InChI=1SC21H21N3O7c251261117(18(19(12)28)24(29)30)2220161051421(1120)2323(14)89(10)143113(16)715(26)27h16101314162022H2578H2(H2627)t101314162021+m0s1
MFCD00077211
OC(=O)C(C@@H)1OCC=C2(C@H)3(C@@H)1(C@@H)1NC4=C((N+)(=O)(O))C(=O)C(=O)C=C4(C@@)41(C@H)(C3)N(C2)CC4
ZINC000019701771
ZINC111854561
ZINC19701771

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Available files

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