Vitas-M small molecule compound

N-1,3-benzodioxol-5-yl-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucinamide

Catalog ID
STK939645
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)OCO2)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 C18H25N3O6S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O6S/c1-3-11(2)16(21-18(23)20-13-6-7-28(24,25)9-13)17(22)19-12-4-5-14-15(8-12)27-10-26-14/h4-5,8,11,13,16H,3,6-7,9-10H2,1-2H3,(H,19,22)(H2,20,21,23)/t11-,13?,16+/m1/s1
InChIKey
BPBRBQZOKVVDOK-GXKMHDKUSA-N
Synonyms
1212457-19-6
(2S3R)N(13benzodioxol5yl)2((11dioxothiolan3yl)carbamoylamino)3methylpentanamide
(2S3R)N(benzo(d)(13)dioxol5yl)2(3(11dioxidotetrahydrothiophen3yl)ureido)3methylpentanamide
1212457196
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)NC1CCS(=O)(=O)C1)C
CCC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)NC3CCS(=O)(=O)C3
InChI=1SC18H25N3O6Sc1311(2)16(2118(23)20136728(2425)913)17(22)1912451415(812)27102614h458111316H367910H212H3(H1922)(H2202123)t1113?16+m1s1
MFCD18179315
N13benzodioxol5ylN~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lisoleucinamide
N13BENZODIOXOL5YLN2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LISOLEUCINAMIDE
ZINC000036352596
ZINC000036352598

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Available files

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