Vitas-M small molecule compound

benzyl 2-amino-1-[4-(butan-2-yl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Catalog ID
STL225502
SMILES CCC(c1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)OCc1ccccc1)C

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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 C28H26N4O2 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2/c1-3-18(2)20-13-15-21(16-14-20)32-26(29)24(28(33)34-17-19-9-5-4-6-10-19)25-27(32)31-23-12-8-7-11-22(23)30-25/h4-16,18H,3,17,29H2,1-2H3
InChIKey
ZZSXJLNLJDWYAI-UHFFFAOYSA-N
Synonyms
587012-92-8
587012928
BENZYL2AMINO1(4(1METHYLPROPYL)PHENYL)1HPYRROLO(23B)QUINOXALINE3CARBOXYLATE
benzyl2amino1(4(butan2yl)phenyl)1Hpyrrolo(23b)quinoxaline3carboxylate
benzyl2amino1(4(secbutyl)phenyl)1Hpyrrolo(23b)quinoxaline3carboxylate
BENZYL2AMINO1(4BUTAN2YLPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
CCC(C)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC5=CC=CC=C5)N
InChI=1SC28H26N4O2c1318(2)20131521(161420)3226(29)24(28(33)34171995461019)2527(32)312312871122(23)3025h41618H31729H212H3
MFCD04034288
ZINC000002399277
ZINC000002399278

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Available files

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