Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{1-[(3-chloro-4-methoxyphenyl)sulfonyl]piperidin-3-yl}methanone
Catalog ID
STL195428
SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)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 C25H30ClN3O6S MW 536.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O6S/c1-33-22-7-5-20(14-21(22)26)36(31,32)29-8-2-3-19(16-29)25(30)28-11-9-27(10-12-28)15-18-4-6-23-24(13-18)35-17-34-23/h4-7,13-14,19H,2-3,8-12,15-17H2,1H3InChIKey
NXGLSSZIJVXNQF-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(1((3chloro4methoxyphenyl)sulfonyl)piperidin3yl)methanone
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1(3CHLORO4METHOXYPHENYL)SULFONYLPIPERIDIN3YL)METHANONE
COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl
InChI=1SC25H30ClN3O6Sc133227520(1421(22)26)36(3132)2982319(1629)25(30)2811927(101228)1518462324(1318)35173423h47131419H238121517H21H3
MFCD06626295
ZINC000059620413
ZINC000059620417
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