Vitas-M small molecule compound
N-(2-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-N-(3,4-dimethoxyphenyl)methanesulfonamide (non-preferred name)
Catalog ID
STL139799
SMILES COc1cc(ccc1OC)N(S(=O)(=O)C)CC(=O)N/N=C/c1cc2OCOc2cc1Br
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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 C19H20BrN3O7S MW 514.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN3O7S/c1-27-15-5-4-13(7-16(15)28-2)23(31(3,25)26)10-19(24)22-21-9-12-6-17-18(8-14(12)20)30-11-29-17/h4-9H,10-11H2,1-3H3,(H,22,24)/b21-9+InChIKey
DRQWUBPXPKSJOI-ZVBGSRNCSA-NSynonyms
COC1=C(C=C(C=C1)N(CC(=O)NN=CC2=CC3=C(C=C2Br)OCO3)S(=O)(=O)C)OC
COc1cc(ccc1OC)N(S(=O)(=O)C)CC(=O)NN=Cc1cc2OCOc2cc1Br
InChI=1SC19H20BrN3O7Sc127155413(716(15)282)23(31(325)26)1019(24)222191261718(814(12)20)30112917h49H1011H213H3(H2224)b219+
MFCD03763109
N((E)(6bromo13benzodioxol5yl)methylideneamino)2(34dimethoxyNmethylsulfonylanilino)acetamide
N(2((2E)2((6bromo13benzodioxol5yl)methylidene)hydrazinyl)2oxoethyl)N(34dimethoxyphenyl)methanesulfonamide(nonpreferredname)
ZINC000014186016
ZINC103149000
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