Vitas-M small molecule compound

N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-beta-alaninamide

Catalog ID
STK935553
SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CCNC(=O)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 C15H17ClF3N3O4S MW 427.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClF3N3O4S/c16-12-2-1-9(7-11(12)15(17,18)19)21-13(23)3-5-20-14(24)22-10-4-6-27(25,26)8-10/h1-2,7,10H,3-6,8H2,(H,21,23)(H2,20,22,24)
InChIKey
HRUZFPATMYDZMD-UHFFFAOYSA-N
Synonyms
1190278-48-8
1190278488
C1CS(=O)(=O)CC1NC(=O)NCCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI=1SC15H17ClF3N3O4Sc1612219(711(12)15(1718)19)2113(23)352014(24)22104627(2526)810h12710H368H2(H2123)(H2202224)
MFCD13760025
N(4chloro3(trifluoromethyl)phenyl)3((11dioxothiolan3yl)carbamoylamino)propanamide
N(4chloro3(trifluoromethyl)phenyl)3(3(11dioxidotetrahydrothiophen3yl)ureido)propanamide
N(4chloro3(trifluoromethyl)phenyl)N~3~((11dioxidotetrahydrothiophen3yl)carbamoyl)betaalaninamide
N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)N3((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)BETAALANINAMIDE
ZINC000036360940
ZINC000036360941

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Available files

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