Vitas-M small molecule compound
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Catalog ID
STK879140
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1ccc(cc1)Cl)NCCC1=CCCCC1
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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 C21H23ClN6O2 MW 426.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN6O2/c22-17-8-6-16(7-9-17)12-28-20-19(25-26-28)21(30)27(14-24-20)13-18(29)23-11-10-15-4-2-1-3-5-15/h4,6-9,14H,1-3,5,10-13H2,(H,23,29)InChIKey
XKARXLBCUMPOOQ-UHFFFAOYSA-NSynonyms
2(3((4chlorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(2(cyclohexen1yl)ethyl)acetamide
2(3(4chlorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(2(cyclohex1en1yl)ethyl)acetamide
C1CCC(=CC1)CCNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl
InChI=1SC21H23ClN6O2c22178616(7917)12282019(252628)21(30)27(142420)1318(29)231110154213515h46914H1351013H2(H2329)
MFCD18170534
ZINC000040477225
ZINC40477225
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