Vitas-M small molecule compound
methyl N-acetyl-N-(4-{[(3Z)-3-{[(4-methylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}phenyl)-beta-alaninate
Catalog ID
STK646513
SMILES COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C)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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c1-18-8-14-22(15-9-18)38(35,36)31-27-26(29-23-6-4-5-7-24(23)30-27)28-20-10-12-21(13-11-20)32(19(2)33)17-16-25(34)37-3/h4-15H,16-17H2,1-3H3,(H,28,29)(H,30,31)InChIKey
HSXQPDNQYPRWPL-UHFFFAOYSA-NSynonyms
325815-80-3325815803
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)N(CCC(=O)OC)C(=O)C
COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2(nH)c1=NS(=O)(=O)c1ccc(cc1)C)C(=O)C
InChI=1SC27H27N5O5Sc11881422(15918)38(3536)312726(2923645724(23)3027)2820101221(131120)32(19(2)33)171625(34)373h415H1617H213H3(H2829)(H3031)
METHYL3(NACETYL4((3((4METHYLPHENYL)SULFONYLAMINO)QUINOXALIN2YL)AMINO)ANILINO)PROPANOATE
methylNacetylN(4(((3Z)3(((4methylphenyl)sulfonyl)imino)34dihydroquinoxalin2yl)amino)phenyl)betaalaninate
METHYLNACETYLN(4((3(((4METHYLPHENYL)SULFONYL)AMINO)QUINOXALIN2YL)AMINO)PHENYL)BETAALANINATE
MFCD18164277
ZINC000002197340
ZINC2197340
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.