Vitas-M small molecule compound

N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Catalog ID
STK634945
SMILES O=C([C@@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1)C)Nc1ccc2c(c1)OCCO2

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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 C23H27N3O6S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O6S/c1-16(22(27)25-18-9-10-20-21(14-18)32-13-12-31-20)24-23(28)17-6-5-11-26(15-17)33(29,30)19-7-3-2-4-8-19/h2-4,7-10,14,16-17H,5-6,11-13,15H2,1H3,(H,24,28)(H,25,27)/t16-,17?/m0/s1
InChIKey
MRPNMFRSXVYGJP-BHWOMJMDSA-N
Synonyms
1014065-81-6
1(benzenesulfonyl)N((2S)1(23dihydro14benzodioxin6ylamino)1oxopropan2yl)piperidine3carboxamide
1014065816
CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4
InChI=1SC23H27N3O6Sc116(22(27)25189102021(1418)3213123120)2423(28)17651126(1517)33(2930)197324819h24710141617H56111315H21H3(H2428)(H2527)t1617?m0s1
MFCD10488751
N((2S)1(23dihydro14benzodioxin6ylamino)1oxopropan2yl)1(phenylsulfonyl)piperidine3carboxamide
N((S)1((23dihydrobenzo(b)(14)dioxin6yl)amino)1oxopropan2yl)1(phenylsulfonyl)piperidine3carboxamide
O=C((C@@H)(NC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1)C)Nc1ccc2c(c1)OCCO2
ZINC000009306615
ZINC000009306616

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Available files

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