Vitas-M small molecule compound

3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-1-ol

Catalog ID
STK615888
SMILES OCCCn1c(C)c(c2c1ncn1c2nc(n1)c1ccc(cc1)Cl)C

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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 C18H18ClN5O MW 355.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN5O/c1-11-12(2)23(8-3-9-25)17-15(11)18-21-16(22-24(18)10-20-17)13-4-6-14(19)7-5-13/h4-7,10,25H,3,8-9H2,1-2H3
InChIKey
NDYQDXTXHBIZSZ-UHFFFAOYSA-N
Synonyms
921062-42-2
3(2(4chlorophenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)propan1ol
921062422
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)Cl)CCCO)C
InChI=1SC18H18ClN5Oc11112(2)23(83925)1715(11)182116(2224(18)102017)134614(19)7513h471025H389H212H3
MFCD08747016
ZINC000009305201
ZINC09305201
ZINC9305201

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.