Vitas-M small molecule compound
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL081326
SMILES COc1ccc(cc1Cl)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 C21H18ClN5O6 MW 471.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O6/c1-31-14-5-3-12(9-13(14)22)27-20(29)18-19(21(27)30)26(25-24-18)10-17(28)23-11-2-4-15-16(8-11)33-7-6-32-15/h2-5,8-9,18-19H,6-7,10H2,1H3,(H,23,28)InChIKey
UMSJRBQQKVNGTC-UHFFFAOYSA-NSynonyms
1052606-22-01052606220
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(23dihydro14benzodioxin6yl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(23dihydro14benzodioxin6yl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC5=C(C=C4)OCCO5)Cl
InChI=1SC21H18ClN5O6c131145312(913(14)22)2720(29)1819(21(27)30)26(252418)1017(28)2311241516(811)33763215h25891819H6710H21H3(H2328)
MFCD07655888
ZINC000009675045
ZINC000101168924
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