Vitas-M small molecule compound
N-{(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxobutan-2-yl}-1-{N-[(4-methylphenyl)sulfonyl]-L-isoleucyl}piperidine-4-carboxamide
Catalog ID
STK571775
SMILES CC[C@H]([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C)C(C)C)NS(=O)(=O)c1ccc(cc1)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 C31H44N4O5S MW 584.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N4O5S/c1-7-23(6)28(34-41(39,40)26-14-10-22(5)11-15-26)31(38)35-18-16-24(17-19-35)29(36)33-27(20(2)3)30(37)32-25-12-8-21(4)9-13-25/h8-15,20,23-24,27-28,34H,7,16-19H2,1-6H3,(H,32,37)(H,33,36)/t23-,27+,28+/m1/s1InChIKey
MBTPEFVEPUNIBR-UIUQJESISA-NSynonyms
CC(C@H)((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)C)C(C)C)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC31H44N4O5Sc1723(6)28(3441(3940)26141022(5)111526)31(38)35181624(171935)29(36)3327(20(2)3)30(37)322512821(4)91325h815202324272834H71619H216H3(H3237)(H3336)t2327+28+m1s1
MFCD04167659
N((2S)3methyl1((4methylphenyl)amino)1oxobutan2yl)1(N((4methylphenyl)sulfonyl)Lisoleucyl)piperidine4carboxamide
N((2S)3methyl1(4methylanilino)1oxobutan2yl)1((2S3R)3methyl2((4methylphenyl)sulfonylamino)pentanoyl)piperidine4carboxamide
N((S)3methyl1oxo1(ptolylamino)butan2yl)1((2S3R)3methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamide
ZINC000102567227
ZINC102567227
Check stock
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Check stock on Vitas-MAvailable files
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