Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{6-[(3,4-dimethylphenyl)sulfonyl]pyridin-3-yl}methanone
Catalog ID
STL124795
SMILES O=C(c1ccc(nc1)S(=O)(=O)c1ccc(c(c1)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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-18-3-6-22(13-19(18)2)35(31,32)25-8-5-21(15-27-25)26(30)29-11-9-28(10-12-29)16-20-4-7-23-24(14-20)34-17-33-23/h3-8,13-15H,9-12,16-17H2,1-2H3InChIKey
QYMHEBVURPWWTK-UHFFFAOYSA-NSynonyms
1040684-17-0(4(13benzodioxol5ylmethyl)piperazin1yl)(6((34dimethylphenyl)sulfonyl)pyridin3yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(6(34dimethylphenyl)sulfonylpyridin3yl)methanone
(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)(6((34DIMETHYLPHENYL)SULFONYL)PYRIDIN3YL)METHANONE
1040684170
CC1=C(C=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C
InChI=1SC26H27N3O5Sc1183622(1319(18)2)35(3132)258521(152725)26(30)2911928(101229)1620472324(1420)34173323h381315H9121617H212H3
MFCD11996057
ZINC000016842299
ZINC16842299
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