Vitas-M small molecule compound

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

Catalog ID
STK655660
SMILES O=C(N[C@H](C(=O)Nc1ccccc1C(F)(F)F)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 C17H22F3N3O4S MW 421.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3N3O4S/c1-10(2)14(23-16(25)21-11-7-8-28(26,27)9-11)15(24)22-13-6-4-3-5-12(13)17(18,19)20/h3-6,10-11,14H,7-9H2,1-2H3,(H,22,24)(H2,21,23,25)/t11?,14-/m0/s1
InChIKey
FVOOIDCYLTVLSS-IAXJKZSUSA-N
Synonyms
1212426-34-0
(2S)2((11dioxothiolan3yl)carbamoylamino)3methylN(2(trifluoromethyl)phenyl)butanamide
(2S)2(3(11dioxidotetrahydrothiophen3yl)ureido)3methylN(2(trifluoromethyl)phenyl)butanamide
1212426340
CC(C)C(C(=O)NC1=CC=CC=C1C(F)(F)F)NC(=O)NC2CCS(=O)(=O)C2
InChI=1SC17H22F3N3O4Sc110(2)14(2316(25)21117828(2627)911)15(24)2213643512(13)17(1819)20h36101114H79H212H3(H2224)(H2212325)t11?14m0s1
MFCD18167430
N~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)N(2(trifluoromethyl)phenyl)Lvalinamide
N2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)N(2(TRIFLUOROMETHYL)PHENYL)LVALINAMIDE
O=C(N(C@H)(C(=O)Nc1ccccc1C(F)(F)F)C(C)C)NC1CCS(=O)(=O)C1
ZINC000036353338
ZINC000036353340

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Available files

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