Vitas-M small molecule compound
3,9-dimethyl-7-[(2E)-3-phenylprop-2-en-1-yl]-1-(propan-2-yl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Catalog ID
STL008821
SMILES CC1=NN(C(C)C)c2n(C1)c1c(=O)n(C/C=C/c3ccccc3)c(=O)n(c1n2)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 C21H24N6O2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O2/c1-14(2)27-20-22-18-17(26(20)13-15(3)23-27)19(28)25(21(29)24(18)4)12-8-11-16-9-6-5-7-10-16/h5-11,14H,12-13H2,1-4H3/b11-8+InChIKey
ACNSYECPSGHHRP-DHZHZOJOSA-NSynonyms
919008-44-939dimethyl7((2E)3phenylprop2en1yl)1(propan2yl)14dihydro(124)triazino(34f)purine68(7H9H)dione
39dimethyl7((E)3phenylprop2enyl)1propan2yl4Hpurino(87c)(124)triazine68dione
7((2E)3PHENYLPROP2ENYL)39DIMETHYL1(METHYLETHYL)579TRIHYDRO4H124TRIAZINO(43H)PURINE68DIONE
7cinnamyl1isopropyl39dimethyl79dihydro(124)triazino(34f)purine68(1H4H)dione
919008449
CC1=NN(C(C)C)c2n(C1)c1c(=O)n(CC=Cc3ccccc3)c(=O)n(c1n2)C
CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)C(C)C
InChI=1SC21H24N6O2c114(2)2720221817(26(20)1315(3)2327)19(28)25(21(29)24(18)4)128111696571016h51114H1213H214H3b118+
MFCD08746512
ZINC000009060030
ZINC09060030
ZINC9060030
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