Vitas-M small molecule compound
2-(benzylsulfanyl)-7-methyl-6-[2-(pyrrolidin-1-yl)pyrimidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidine
Catalog ID
STL122036
SMILES Cc1c(cnc2n1nc(n2)SCc1ccccc1)c1ccnc(n1)N1CCCC1
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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 C21H21N7S MW 403.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7S/c1-15-17(18-9-10-22-19(24-18)27-11-5-6-12-27)13-23-20-25-21(26-28(15)20)29-14-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3InChIKey
YOLZIPCIPSPIFD-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7methyl6(2(pyrrolidin1yl)pyrimidin4yl)(124)triazolo(15a)pyrimidine
2benzylsulfanyl7methyl6(2pyrrolidin1ylpyrimidin4yl)(124)triazolo(15a)pyrimidine
CC1=C(C=NC2=NC(=NN12)SCC3=CC=CC=C3)C4=NC(=NC=C4)N5CCCC5
InChI=1SC21H21N7Sc11517(189102219(2418)2711561227)1323202521(2628(15)20)2914167324816h2471013H56111214H21H3
MFCD18485143
ZINC000054202072
ZINC54202072
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