Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL081406
SMILES COc1ccc(cc1OC)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)Nc1ccc2c(c1)OCCO2
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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 C22H21N5O7 MW 467.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O7/c1-31-14-6-4-13(10-16(14)32-2)27-21(29)19-20(22(27)30)26(25-24-19)11-18(28)23-12-3-5-15-17(9-12)34-8-7-33-15/h3-6,9-10,19-20H,7-8,11H2,1-2H3,(H,23,28)InChIKey
WVHNGSMLXSKIQV-UHFFFAOYSA-NSynonyms
1052611-85-41052611854
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC5=C(C=C4)OCCO5)OC
InChI=1SC22H21N5O7c131146413(1016(14)322)2721(29)1920(22(27)30)26(252419)1118(28)2312351517(912)34873315h369101920H7811H212H3(H2328)
MFCD07656066
N(23dihydro14benzodioxin6yl)2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(23dihydro14benzodioxin6yl)2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009675660
ZINC000101169905
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