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-(3-methylphenyl)acetamide
Catalog ID
STL094801
SMILES Cc1cccc(c1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)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 C19H16ClN5O3 MW 397.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN5O3/c1-11-4-2-6-13(8-11)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)14-7-3-5-12(20)9-14/h2-9,16-17H,10H2,1H3,(H,21,26)InChIKey
QQEGIWFIPAGCEK-UHFFFAOYSA-NSynonyms
2(5(3chlorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3methylphenyl)acetamide
2(5(3chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3methylphenyl)acetamide
CC1=CC(=CC=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)N=N2
InChI=1SC19H16ClN5O3c11142613(811)2115(26)10241716(222324)18(27)25(19(17)28)1473512(20)914h291617H10H21H3(H2126)
MFCD14757206
ZINC000004992501
ZINC000101416305
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