Vitas-M small molecule compound
N-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(2,3-dimethylphenyl)benzenesulfonamide
Catalog ID
STL070710
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-21-7-6-10-25(22(21)2)31(37(33,34)24-8-4-3-5-9-24)19-28(32)30-15-13-29(14-16-30)18-23-11-12-26-27(17-23)36-20-35-26/h3-12,17H,13-16,18-20H2,1-2H3InChIKey
LTUCWJPUTDPQIL-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5)C
InChI=1SC28H31N3O5Sc121761025(22(21)2)31(37(3334)248435924)1928(32)30151329(141630)182311122627(1723)36203526h31217H13161820H212H3
MFCD03697161
N(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)N(23dimethylphenyl)benzenesulfonamide
ZINC000016349957
ZINC16349957
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