Vitas-M small molecule compound

methyl N-acetyl-N-[4-({(3Z)-3-[(phenylsulfonyl)imino]-3,4-dihydroquinoxalin-2-yl}amino)phenyl]-beta-alaninate

Catalog ID
STK643020
SMILES COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccccc1)C(=O)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 C26H25N5O5S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5S/c1-18(32)31(17-16-24(33)36-2)20-14-12-19(13-15-20)27-25-26(29-23-11-7-6-10-22(23)28-25)30-37(34,35)21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3,(H,27,28)(H,29,30)
InChIKey
ARIZLUJMXILALE-UHFFFAOYSA-N
Synonyms
369604-28-4
369604284
CC(=O)N(CCC(=O)OC)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4
COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1ccccc1)C(=O)C
InChI=1SC26H25N5O5Sc118(32)31(171624(33)362)20141219(131520)272526(292311761022(23)2825)3037(3435)218435921h315H1617H212H3(H2728)(H2930)
METHYL3(NACETYL4((3(BENZENESULFONAMIDO)QUINOXALIN2YL)AMINO)ANILINO)PROPANOATE
methylNacetylN(4(((3Z)3((phenylsulfonyl)imino)34dihydroquinoxalin2yl)amino)phenyl)betaalaninate
MFCD18163159
ZINC000002346906
ZINC2346906

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Available files

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