Vitas-M small molecule compound
methyl 2-({[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL171529
SMILES COC(=O)c1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)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 C21H19N5O5 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5/c1-12-7-9-13(10-8-12)26-19(28)17-18(20(26)29)25(24-23-17)11-16(27)22-15-6-4-3-5-14(15)21(30)31-2/h3-10,17-18H,11H2,1-2H3,(H,22,27)InChIKey
QQBAHDQDWAKECP-UHFFFAOYSA-NSynonyms
1024285-72-01024285720
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC21H19N5O5c1127913(10812)2619(28)1718(20(26)29)25(242317)1116(27)2215643514(15)21(30)312h3101718H11H212H3(H2227)
methyl2(((5(4methylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
METHYL2((2(5(4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
MFCD04045542
ZINC000002787016
ZINC000103085954
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