Vitas-M small molecule compound
1-(3-chlorobenzyl)-N-(4-methoxybenzyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL135488
SMILES COc1ccc(cc1)CNC(=O)c1nnn(c1n1cccc1)Cc1cccc(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 C22H20ClN5O2 MW 421.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O2/c1-30-19-9-7-16(8-10-19)14-24-21(29)20-22(27-11-2-3-12-27)28(26-25-20)15-17-5-4-6-18(23)13-17/h2-13H,14-15H2,1H3,(H,24,29)InChIKey
YJLJKWSKXCWOCS-UHFFFAOYSA-NSynonyms
1((3chlorophenyl)methyl)N((4methoxyphenyl)methyl)5pyrrol1yltriazole4carboxamide
1(3chlorobenzyl)N(4methoxybenzyl)5(1Hpyrrol1yl)1H123triazole4carboxamide
COC1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Cl)N4C=CC=C4
InChI=1SC22H20ClN5O2c130199716(81019)142421(29)2022(2711231227)28(262520)151754618(23)1317h213H1415H21H3(H2429)
MFCD20754317
ZINC000064999417
ZINC64999417
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