Vitas-M small molecule compound
3-[(4-methoxyphenyl)sulfonyl]-N~1~-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine
Catalog ID
STK920916
SMILES COc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1ccc(cc1)C(C)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-17(2)19-10-8-18(9-11-19)16-29-32-26(28)25(36(33,34)21-14-12-20(35-3)13-15-21)24-27(32)31-23-7-5-4-6-22(23)30-24/h4-17H,28H2,1-3H3/b29-16+InChIKey
AJNRCCCDNGAYMG-MUFRIFMGSA-NSynonyms
845800-86-4(E)N1(4isopropylbenzylidene)3((4methoxyphenyl)sulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
3((4methoxyphenyl)sulfonyl)N~1~((E)(4(propan2yl)phenyl)methylidene)1Hpyrrolo(23b)quinoxaline12diamine
3((4METHOXYPHENYL)SULFONYL)N1((E)(4(PROPAN2YL)PHENYL)METHYLIDENE)1HPYRROLO(23B)QUINOXALINE12DIAMINE
3(4METHOXYPHENYL)SULFONYL1((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALIN2AMINE
845800864
CC(C)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)OC)N
COc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1ccc(cc1)C(C)C
InChI=1SC27H25N5O3Sc117(2)1910818(91119)16293226(28)25(36(3334)21141220(353)131521)2427(32)3123754622(23)3024h417H28H213H3b2916+
MFCD04170477
ZINC000002418056
ZINC2418055
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.