Vitas-M small molecule compound
(2E)-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STL056851
SMILES COc1ccccc1/C=C/C(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1
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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 C21H18ClN5O3 MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O3/c1-30-17-5-3-2-4-14(17)8-11-18(28)23-20-25-21-24-19(29)12-16(27(21)26-20)13-6-9-15(22)10-7-13/h2-11,16H,12H2,1H3,(H2,23,24,25,26,28,29)/b11-8+InChIKey
FYCJKOGMSYRXSA-DHZHZOJOSA-NSynonyms
713088-34-7(2E)N(7(4chlorophenyl)5oxo3567tetrahydro(124)triazolo(15a)pyrimidin2yl)3(2methoxyphenyl)prop2enamide
(E)N(7(4CHLOROPHENYL)5OXO67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(2METHOXYPHENYL)PROP2ENAMIDE
713088347
COC1=CC=CC=C1C=CC(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=C(C=C4)Cl
COc1ccccc1C=CC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)(nH)1
InChI=1SC21H18ClN5O3c13017532414(17)81118(28)232025212419(29)1216(27(21)2620)136915(22)10713h21116H12H21H3(H2232425262829)b118+
MFCD05724841
ZINC000002409578
ZINC000002409580
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