Vitas-M small molecule compound
ethyl (2E)-(8,10-diphenyl-10,10a,11,12,13,14-hexahydro-5H-naphtho[1',2':4,5]imidazo[2,1-j]quinolin-5-ylidene)(nitro)ethanoate
Catalog ID
STL056270
SMILES CCOC(=O)/C(=c\1/cc2c(=NC34N2C(=CC(C4CCCC3)c2ccccc2)c2ccccc2)c2c1cccc2)/[N+](=O)[O-]
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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 C35H31N3O4 MW 557.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N3O4/c1-2-42-34(39)33(38(40)41)28-22-31-32(26-18-10-9-17-25(26)28)36-35-20-12-11-19-29(35)27(23-13-5-3-6-14-23)21-30(37(31)35)24-15-7-4-8-16-24/h3-10,13-18,21-22,27,29H,2,11-12,19-20H2,1H3/b33-28+InChIKey
VBEWRQSREMKTAH-PJJLUWSFSA-NSynonyms
(E)ethyl2(810diphenyl1010a11121314hexahydro5Hnaphtho(1245)imidazo(21j)quinolin5ylidene)2nitroacetate
CCOC(=O)C(=C1C=C2C(=NC34N2C(=CC(C3CCCC4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C71)(N+)(=O)(O)
CCOC(=O)C(=c1cc2c(=NC34N2C(=CC(C4CCCC3)c2ccccc2)c2ccccc2)c2c1cccc2)(N+)(=O)(O)
ethyl(2E)(810diphenyl1010a11121314hexahydro5Hnaphtho(1245)imidazo(21j)quinolin5ylidene)(nitro)ethanoate
InChI=1SC35H31N3O4c124234(39)33(38(40)41)28223132(26181091725(26)28)36352012111929(35)27(23135361423)2130(37(31)35)24157481624h310131821222729H211121920H21H3b3328+
MFCD01088153
ZINC000102895704
ZINC000245247537
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