Vitas-M small molecule compound
3-(2-chlorobenzyl)-6-[4-(2-oxopyrrolidin-1-yl)benzyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Catalog ID
STL125805
SMILES O=C1CCCN1c1ccc(cc1)Cn1cnc2c(c1=O)nnn2Cc1ccccc1Cl
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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 C22H19ClN6O2 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN6O2/c23-18-5-2-1-4-16(18)13-29-21-20(25-26-29)22(31)27(14-24-21)12-15-7-9-17(10-8-15)28-11-3-6-19(28)30/h1-2,4-5,7-10,14H,3,6,11-13H2InChIKey
IPPUZTDVTIYAPO-UHFFFAOYSA-NSynonyms
3((2chlorophenyl)methyl)6((4(2oxopyrrolidin1yl)phenyl)methyl)triazolo(45d)pyrimidin7one
3(2chlorobenzyl)6(4(2oxopyrrolidin1yl)benzyl)36dihydro7H(123)triazolo(45d)pyrimidin7one
C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)N=NN4CC5=CC=CC=C5Cl
InChI=1SC22H19ClN6O2c2318521416(18)13292120(252629)22(31)27(142421)12157917(10815)28113619(28)30h124571014H361113H2
MFCD20738231
ZINC000067259949
ZINC67259949
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