Vitas-M small molecule compound
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
Catalog ID
STL094788
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Cl)Nc1ccc(cc1)C(C)C
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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 C21H20ClN5O3 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3/c1-12(2)13-6-8-15(9-7-13)23-17(28)11-26-19-18(24-25-26)20(29)27(21(19)30)16-5-3-4-14(22)10-16/h3-10,12,18-19H,11H2,1-2H3,(H,23,28)InChIKey
XCIKKZCKINKRLP-UHFFFAOYSA-NSynonyms
1052605-84-11052605841
2(5(3chlorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4propan2ylphenyl)acetamide
2(5(3chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4(propan2yl)phenyl)acetamide
CC(C)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)N=N2
InChI=1SC21H20ClN5O3c112(2)136815(9713)2317(28)11261918(242526)20(29)27(21(19)30)1653414(22)1016h310121819H11H212H3(H2328)
MFCD05718201
ZINC000009835862
ZINC000100890828
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