Vitas-M small molecule compound

3-(phenylsulfonyl)-N~1~-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine

Catalog ID
STK920945
SMILES CC(c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1)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 C26H23N5O2S MW 469.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O2S/c1-17(2)19-14-12-18(13-15-19)16-28-31-25(27)24(34(32,33)20-8-4-3-5-9-20)23-26(31)30-22-11-7-6-10-21(22)29-23/h3-17H,27H2,1-2H3/b28-16+
InChIKey
MDCARFRXQKPLFQ-LQKURTRISA-N
Synonyms
577700-35-7
(E)N1(4isopropylbenzylidene)3(phenylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
3(BENZENESULFONYL)1((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALIN2AMINE
3(phenylsulfonyl)N~1~((E)(4(propan2yl)phenyl)methylidene)1Hpyrrolo(23b)quinoxaline12diamine
3(PHENYLSULFONYL)N1((E)(4(PROPAN2YL)PHENYL)METHYLIDENE)1HPYRROLO(23B)QUINOXALINE12DIAMINE
577700357
CC(C)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N
CC(c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1)C
InChI=1SC26H23N5O2Sc117(2)19141218(131519)16283125(27)24(34(3233)208435920)2326(31)302211761021(22)2923h317H27H212H3b2816+
MFCD04027907
ZINC000002382554
ZINC2382551

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.