Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-leucinamide

Catalog ID
STK655545
SMILES CC(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)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 C19H27N3O6S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N3O6S/c1-12(2)9-15(22-19(24)21-14-5-8-29(25,26)11-14)18(23)20-13-3-4-16-17(10-13)28-7-6-27-16/h3-4,10,12,14-15H,5-9,11H2,1-2H3,(H,20,23)(H2,21,22,24)/t14?,15-/m0/s1
InChIKey
RBRTWTPEPVAFHB-LOACHALJSA-N
Synonyms
1212457-07-2
(2S)N(23dihydro14benzodioxin6yl)2((11dioxothiolan3yl)carbamoylamino)4methylpentanamide
(2S)N(23dihydrobenzo(b)(14)dioxin6yl)2(3(11dioxidotetrahydrothiophen3yl)ureido)4methylpentanamide
1212457072
CC(C(C@@H)(C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)NC1CCS(=O)(=O)C1)C
CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)NC3CCS(=O)(=O)C3
InChI=1SC19H27N3O6Sc112(2)915(2219(24)21145829(2526)1114)18(23)2013341617(1013)28762716h3410121415H5911H212H3(H2023)(H2212224)t14?15m0s1
MFCD18167393
N(23dihydro14benzodioxin6yl)N~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lleucinamide
N(23DIHYDRO14BENZODIOXIN6YL)N2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LLEUCINAMIDE
ZINC000036366518
ZINC000036366520

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Available files

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