Vitas-M small molecule compound
diethyl 1,1'-[6-(dipropan-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(5-methyl-1H-1,2,3-triazole-4-carboxylate)
Catalog ID
STK779296
SMILES CCOC(=O)c1nnn(c1C)c1nc(nc(n1)n1nnc(c1C)C(=O)OCC)N(C(C)C)C(C)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 C21H30N10O4 MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N10O4/c1-9-34-17(32)15-13(7)30(27-25-15)20-22-19(29(11(3)4)12(5)6)23-21(24-20)31-14(8)16(26-28-31)18(33)35-10-2/h11-12H,9-10H2,1-8H3InChIKey
XNAQOBCJELUDCT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N(C(C)C)C(C)C)N3C(=C(N=N3)C(=O)OCC)C)C
diethyl11(6(dipropan2ylamino)135triazine24diyl)bis(5methyl1H123triazole4carboxylate)
ETHYL1(4(DI(PROPAN2YL)AMINO)6(4ETHOXYCARBONYL5METHYLTRIAZOL1YL)135TRIAZIN2YL)5METHYLTRIAZOLE4CARBOXYLATE
InChI=1SC21H30N10O4c193417(32)1513(7)30(272515)202219(29(11(3)4)12(5)6)2321(2420)3114(8)16(262831)18(33)35102h1112H910H218H3
MFCD05858342
ZINC000012413754
ZINC12413754
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