Vitas-M small molecule compound

N-(4-acetylphenyl)-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-valinamide

Catalog ID
STK655293
SMILES O=C(N[C@H](C(=O)Nc1ccc(cc1)C(=O)C)C(C)C)NC1CCS(=O)(=O)C1

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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 C18H25N3O5S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O5S/c1-11(2)16(21-18(24)20-15-8-9-27(25,26)10-15)17(23)19-14-6-4-13(5-7-14)12(3)22/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,23)(H2,20,21,24)/t15?,16-/m0/s1
InChIKey
XSRRNJOMWQOHSX-LYKKTTPLSA-N
Synonyms
1214633-92-7
(2S)N(4acetylphenyl)2((11dioxothiolan3yl)carbamoylamino)3methylbutanamide
(2S)N(4acetylphenyl)2(3(11dioxidotetrahydrothiophen3yl)ureido)3methylbutanamide
1214633927
CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)NC2CCS(=O)(=O)C2
InChI=1SC18H25N3O5Sc111(2)16(2118(24)20158927(2526)1015)17(23)19146413(5714)12(3)22h47111516H810H213H3(H1923)(H2202124)t15?16m0s1
MFCD18167313
N(4acetylphenyl)N~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lvalinamide
N(4ACETYLPHENYL)N2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LVALINAMIDE
O=C(N(C@H)(C(=O)Nc1ccc(cc1)C(=O)C)C(C)C)NC1CCS(=O)(=O)C1
ZINC000032071588
ZINC000032071590

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Available files

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