Vitas-M small molecule compound
5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
Catalog ID
STL100718
SMILES O=C(c1ccc(c(c1)S(=O)(=O)Nc1cccc(c1C)C)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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/c1-19-5-4-6-24(21(19)3)29-37(33,34)27-16-23(9-7-20(27)2)28(32)31-13-11-30(12-14-31)17-22-8-10-25-26(15-22)36-18-35-25/h4-10,15-16,29H,11-14,17-18H2,1-3H3InChIKey
IFQURRFLKUBXLV-UHFFFAOYSA-NSynonyms
5((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)N(23dimethylphenyl)2methylbenzenesulfonamide
5(4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBONYL)N(23DIMETHYLPHENYL)2METHYLBENZENESULFONAMIDE
CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C
InChI=1SC28H31N3O5Sc11954624(21(19)3)2937(3334)271623(9720(27)2)28(32)31131130(121431)17228102526(1522)36183525h410151629H11141718H213H3
MFCD06002808
ZINC000020472191
ZINC20472191
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