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Vitas-M small molecule compound

(2S)-{[(1-{N-[(4-methylphenyl)sulfonyl]-L-valyl}piperidin-4-yl)carbonyl]amino}(phenyl)ethanoic acid

Catalog ID
STL541236
SMILES CC([C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)C(=O)O)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 C26H33N3O6S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O6S/c1-17(2)22(28-36(34,35)21-11-9-18(3)10-12-21)25(31)29-15-13-20(14-16-29)24(30)27-23(26(32)33)19-7-5-4-6-8-19/h4-12,17,20,22-23,28H,13-16H2,1-3H3,(H,27,30)(H,32,33)/t22-,23-/m0/s1
InChIKey
BUKIYBRHWQNVOV-GOTSBHOMSA-N
Synonyms
956927-83-6
(2~(S))2((1((2~(S))3methyl2((4methylphenyl)sulfonylamino)butanoyl)piperidine4carbonyl)amino)2phenylaceticacid
(2S)(((1(N((4methylphenyl)sulfonyl)Lvalyl)piperidin4yl)carbonyl)amino)(phenyl)ethanoicacid
(2S)2(((1((2S)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)1OXOBUTYL)4PIPERIDINYL)OXOMETHYL)AMINO)2PHENYLACETICACID
(2S)2((1((2S)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)BUTANOYL)PIPERIDIN4YL)CARBONYLAMINO)2PHENYLETHANOICACID
(2S)2((1((2S)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)BUTANOYL)PIPERIDINE4CARBONYL)AMINO)2PHENYLACETICACID
(2S)2((1((2S)3METHYL2(TOSYLAMINO)BUTANOYL)ISONIPECOTOYL)AMINO)2PHENYLACETICACID
(S)2(1((S)3methyl2(4methylphenylsulfonamido)butanoyl)piperidine4carboxamido)2phenylaceticacid
16400186
956927836
CC((C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@@H)(c1ccccc1)C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C
InChI=1SC26H33N3O6Sc117(2)22(2836(3435)2111918(3)101221)25(31)29151320(141629)24(30)2723(26(32)33)197546819h4121720222328H1316H213H3(H2730)(H3233)t2223m0s1
ZINC000008918102

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Available files

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