Vitas-M small molecule compound
N-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
Catalog ID
STL222273
SMILES COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)F)CC(=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 C28H30FN3O7S MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O7S/c1-36-24-10-8-23(16-26(24)37-2)40(34,35)32(22-6-4-21(29)5-7-22)18-28(33)31-13-11-30(12-14-31)17-20-3-9-25-27(15-20)39-19-38-25/h3-10,15-16H,11-14,17-19H2,1-2H3InChIKey
YSZUAWPBKIXKQB-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)OC
InChI=1SC28H30FN3O7Sc1362410823(1626(24)372)40(3435)32(226421(29)5722)1828(33)31131130(121431)1720392527(1520)39193825h3101516H11141719H212H3
MFCD04215454
N(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)N(4fluorophenyl)34dimethoxybenzenesulfonamide
ZINC000059595877
ZINC59595877
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