Vitas-M small molecule compound

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

Catalog ID
STK658481
SMILES COc1ccc(cc1Cl)NC(=O)[C@H](C(C)C)NC(=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 C17H24ClN3O5S MW 417.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClN3O5S/c1-10(2)15(21-17(23)20-12-6-7-27(24,25)9-12)16(22)19-11-4-5-14(26-3)13(18)8-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,19,22)(H2,20,21,23)/t12?,15-/m0/s1
InChIKey
AQXNPJQFNHFSGG-CVRLYYSRSA-N
Synonyms
1214628-25-7
(2S)N(3chloro4methoxyphenyl)2((11dioxothiolan3yl)carbamoylamino)3methylbutanamide
(2S)N(3chloro4methoxyphenyl)2(3(11dioxidotetrahydrothiophen3yl)ureido)3methylbutanamide
1214628257
CC(C)C(C(=O)NC1=CC(=C(C=C1)OC)Cl)NC(=O)NC2CCS(=O)(=O)C2
COc1ccc(cc1Cl)NC(=O)(C@H)(C(C)C)NC(=O)NC1CCS(=O)(=O)C1
InChI=1SC17H24ClN3O5Sc110(2)15(2117(23)20126727(2425)912)16(22)19114514(263)13(18)811h458101215H679H213H3(H1922)(H2202123)t12?15m0s1
MFCD18168393
N(3chloro4methoxyphenyl)N~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lvalinamide
N(3CHLORO4METHOXYPHENYL)N2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LVALINAMIDE
ZINC000032101774
ZINC000032101776

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Available files

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