Vitas-M small molecule compound
N-benzyl-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL081327
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)NCc1ccccc1
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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 C20H18ClN5O4 MW 427.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4/c1-30-15-8-7-13(9-14(15)21)26-19(28)17-18(20(26)29)25(24-23-17)11-16(27)22-10-12-5-3-2-4-6-12/h2-9,17-18H,10-11H2,1H3,(H,22,27)InChIKey
QRQFQYWDQAJKGY-UHFFFAOYSA-NSynonyms
1052606-27-51052606275
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NCC4=CC=CC=C4)Cl
InChI=1SC20H18ClN5O4c130158713(914(15)21)2619(28)1718(20(26)29)25(242317)1116(27)2210125324612h291718H1011H21H3(H2227)
MFCD07655889
Nbenzyl2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
Nbenzyl2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009675052
ZINC000101168928
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