Vitas-M small molecule compound
methyl 2-({[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL171531
SMILES COC(=O)c1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)Cl
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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 C20H16ClN5O5 MW 441.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O5/c1-31-20(30)13-4-2-3-5-14(13)22-15(27)10-25-17-16(23-24-25)18(28)26(19(17)29)12-8-6-11(21)7-9-12/h2-9,16-17H,10H2,1H3,(H,22,27)InChIKey
SOKOTAMBDGNLTM-UHFFFAOYSA-NSynonyms
1024303-94-31024303943
COC(=O)C1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2
InChI=1SC20H16ClN5O5c13120(30)13423514(13)2215(27)10251716(232425)18(28)26(19(17)29)128611(21)7912h291617H10H21H3(H2227)
methyl2(((5(4chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
METHYL2((2(5(4CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
MFCD04045553
ZINC000002787310
ZINC000102436972
Check stock
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