Vitas-M small molecule compound
1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol
Catalog ID
STL052311
SMILES Oc1ccc2c(c1/C(=C/1\CCCCCN1)/[N+](=O)[O-])c([N+](=O)[O-])c1n2CCCCC1
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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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c25-16-10-9-14-17(20(24(28)29)15-8-4-2-6-12-22(14)15)18(16)19(23(26)27)13-7-3-1-5-11-21-13/h9-10,21,25H,1-8,11-12H2/b19-13-InChIKey
XWEDBAXHJZJSGV-UYRXBGFRSA-NSynonyms
700358-07-2(Z)1(azepan2ylidene(nitro)methyl)11nitro78910tetrahydro6Hazepino(12a)indol2ol
1((Z)azepan2ylidene(nitro)methyl)11nitro78910tetrahydro6Hazepino(12a)indol2ol
700358072
C1CCC(=C(C2=C(C=CC3=C2C(=C4N3CCCCC4)(N+)(=O)(O))O)(N+)(=O)(O))NCC1
InChI=1SC20H24N4O5c25161091417(20(24(28)29)1584261222(14)15)18(16)19(23(26)27)137315112113h9102125H181112H2b1913
MFCD04013916
Oc1ccc2c(c1C(=C1CCCCCN1)(N+)(=O)(O))c((N+)(=O)(O))c1n2CCCCC1
ZINC000001315536
ZINC1315536
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