Vitas-M small molecule compound
3-{4-[(4-chlorophenyl)amino]-6-methoxy-1,3,5-triazin-2-yl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STK683281
SMILES COc1nc(Nc2ccc(cc2)Cl)nc(n1)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C21H21ClN6O2 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O2/c1-30-21-25-19(23-16-7-5-15(22)6-8-16)24-20(26-21)27-10-13-9-14(12-27)17-3-2-4-18(29)28(17)11-13/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)InChIKey
ZLGVGHFJOUEABE-UHFFFAOYSA-NSynonyms
3(4((4chlorophenyl)amino)6methoxy135triazin2yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC21H21ClN6O2c130212519(23167515(22)6816)2420(2621)271013914(1227)1732418(29)28(17)1113h281314H912H21H3(H23242526)
MFCD05257275
ZINC000015319083
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