Vitas-M small molecule compound
2-amino-N-(3,4-dimethoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Catalog ID
STL328234
SMILES COc1ccc(cc1OC)CNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F
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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 C27H22F3N5O3 MW 521.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N5O3/c1-37-20-11-10-15(12-21(20)38-2)14-32-26(36)22-23-25(34-19-9-4-3-8-18(19)33-23)35(24(22)31)17-7-5-6-16(13-17)27(28,29)30/h3-13H,14,31H2,1-2H3,(H,32,36)InChIKey
STNJJLQWNRASLG-UHFFFAOYSA-NSynonyms
2AMINON((34DIMETHOXYPHENYL)METHYL)1(3(TRIFLUOROMETHYL)PHENYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
2aminoN(34dimethoxybenzyl)1(3(trifluoromethyl)phenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
COC1=C(C=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=CC(=C5)C(F)(F)F)N)OC
InChI=1SC27H22F3N5O3c13720111015(1221(20)382)143226(36)222325(3419943818(19)3323)35(24(22)31)1775616(1317)27(2829)30h313H1431H212H3(H3236)
MFCD02161839
ZINC000002290305
ZINC02290305
ZINC2290305
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