Vitas-M small molecule compound
5-(3-chloro-4-methoxyphenyl)-1-(2,5-dimethylbenzyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL081469
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2Cc1cc(C)ccc1C
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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 C20H19ClN4O3 MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3/c1-11-4-5-12(2)13(8-11)10-24-18-17(22-23-24)19(26)25(20(18)27)14-6-7-16(28-3)15(21)9-14/h4-9,17-18H,10H2,1-3H3InChIKey
HKJXTJIJQMMCNG-UHFFFAOYSA-NSynonyms
5(3chloro4methoxyphenyl)1(25dimethylbenzyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3chloro4methoxyphenyl)3((25dimethylphenyl)methyl)3a6adihydropyrrolo(34d)triazole46dione
CC1=CC(=C(C=C1)C)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI=1SC20H19ClN4O3c1114512(2)13(811)10241817(222324)19(26)25(20(18)27)146716(283)15(21)914h491718H10H213H3
MFCD07655835
ZINC000004483899
ZINC000101417896
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