Vitas-M small molecule compound

N-cyclopropyl-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucinamide

Catalog ID
STK653458
SMILES CC[C@H]([C@@H](C(=O)NC1CC1)NC(=O)NC1CCS(=O)(=O)C1)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 C14H25N3O4S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H25N3O4S/c1-3-9(2)12(13(18)15-10-4-5-10)17-14(19)16-11-6-7-22(20,21)8-11/h9-12H,3-8H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-,11?,12+/m1/s1
InChIKey
NDNGSUMJQPIMFC-DGHCKJRHSA-N
Synonyms
1214629-33-0
(2S3R)Ncyclopropyl2((11dioxothiolan3yl)carbamoylamino)3methylpentanamide
(2S3R)Ncyclopropyl2(3(11dioxidotetrahydrothiophen3yl)ureido)3methylpentanamide
1214629330
CC(C@H)((C@@H)(C(=O)NC1CC1)NC(=O)NC1CCS(=O)(=O)C1)C
CCC(C)C(C(=O)NC1CC1)NC(=O)NC2CCS(=O)(=O)C2
InChI=1SC14H25N3O4Sc139(2)12(13(18)15104510)1714(19)16116722(2021)811h912H38H212H3(H1518)(H2161719)t911?12+m1s1
MFCD18166709
NcyclopropylN~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lisoleucinamide
NCYCLOPROPYLN2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LISOLEUCINAMIDE
ZINC000036357963
ZINC000036357964

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Available files

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