Vitas-M small molecule compound

methyl N-[(1-{[4-(acetylamino)phenyl]sulfonyl}piperidin-3-yl)carbonyl]-L-valinate

Catalog ID
STL011014
SMILES COC(=O)[C@H](C(C)C)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=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 C20H29N3O6S MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N3O6S/c1-13(2)18(20(26)29-4)22-19(25)15-6-5-11-23(12-15)30(27,28)17-9-7-16(8-10-17)21-14(3)24/h7-10,13,15,18H,5-6,11-12H2,1-4H3,(H,21,24)(H,22,25)/t15?,18-/m0/s1
InChIKey
ZYZIQSCTBYZYAP-PKHIMPSTSA-N
Synonyms
1014063-76-3
(2S)methyl2(1((4acetamidophenyl)sulfonyl)piperidine3carboxamido)3methylbutanoate
1014063763
CC(C)C(C(=O)OC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
COC(=O)(C@H)(C(C)C)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C
InChI=1SC20H29N3O6Sc113(2)18(20(26)294)2219(25)15651123(1215)30(2728)179716(81017)2114(3)24h710131518H561112H214H3(H2124)(H2225)t15?18m0s1
methyl(2S)2((1(4acetamidophenyl)sulfonylpiperidine3carbonyl)amino)3methylbutanoate
methylN((1((4(acetylamino)phenyl)sulfonyl)piperidin3yl)carbonyl)Lvalinate
ZINC000009134448
ZINC000009134449

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Available files

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