Vitas-M small molecule compound

N-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl}-N-(4-methylphenyl)methanesulfonamide

Catalog ID
STL071689
SMILES Cc1ccc(cc1)N(S(=O)(=O)C)C(C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C23H29N3O5S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5S/c1-17-4-7-20(8-5-17)26(32(3,28)29)18(2)23(27)25-12-10-24(11-13-25)15-19-6-9-21-22(14-19)31-16-30-21/h4-9,14,18H,10-13,15-16H2,1-3H3
InChIKey
YUOQWYBFAJXDCX-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N(C(C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C
InChI=1SC23H29N3O5Sc1174720(8517)26(32(328)29)18(2)23(27)25121024(111325)1519692122(1419)31163021h491418H10131516H213H3
MFCD06002512
N(1(4(13benzodioxol5ylmethyl)piperazin1yl)1oxopropan2yl)N(4methylphenyl)methanesulfonamide
ZINC000020419580
ZINC000020419582

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Available files

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