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-(4-phenoxyphenyl)acetamide
Catalog ID
STL141727
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(cc1)Oc1ccccc1
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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 C25H20ClN5O5 MW 505.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O5/c1-35-20-12-9-16(13-19(20)26)31-24(33)22-23(25(31)34)30(29-28-22)14-21(32)27-15-7-10-18(11-8-15)36-17-5-3-2-4-6-17/h2-13,22-23H,14H2,1H3,(H,27,32)InChIKey
DTOFMQGJSQWVEH-UHFFFAOYSA-NSynonyms
1052555-27-71052555277
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4phenoxyphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4phenoxyphenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)Cl
InChI=1SC25H20ClN5O5c1352012916(1319(20)26)3124(33)2223(25(31)34)30(292822)1421(32)271571018(11815)36175324617h2132223H14H21H3(H2732)
MFCD08569076
ZINC000009319261
ZINC000101388643
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