Vitas-M small molecule compound

2-amino-N-(4-phenylbutan-2-yl)-1-{[(E)-phenylmethylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK990833
SMILES CC(NC(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1ccccc1)CCc1ccccc1

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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 C28H26N6O MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O/c1-19(16-17-20-10-4-2-5-11-20)31-28(35)24-25-27(33-23-15-9-8-14-22(23)32-25)34(26(24)29)30-18-21-12-6-3-7-13-21/h2-15,18-19H,16-17,29H2,1H3,(H,31,35)/b30-18+
InChIKey
QRMMIYQBYIBOFS-UXHLAJHPSA-N
Synonyms
577997-03-6
(E)2amino1(benzylideneamino)N(4phenylbutan2yl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)benzylideneamino)N(4phenylbutan2yl)pyrrolo(32b)quinoxaline3carboxamide
2aminoN(4phenylbutan2yl)1(((E)phenylmethylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
577997036
CC(CCC1=CC=CC=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=CC=C5)N
CC(NC(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1ccccc1)CCc1ccccc1
InChI=1SC28H26N6Oc119(161720104251120)3128(35)242527(332315981422(23)3225)34(26(24)29)301821126371321h2151819H161729H21H3(H3135)b3018+
MFCD04022569
ZINC000002361331
ZINC000002361336

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Available files

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