Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL192217
SMILES CC1CCC(C(C1)OC(=O)C1=C(C)Nc2n(C1c1ccccc1[N+](=O)[O-])ncn2)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 C23H29N5O4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4/c1-13(2)16-10-9-14(3)11-19(16)32-22(29)20-15(4)26-23-24-12-25-27(23)21(20)17-7-5-6-8-18(17)28(30)31/h5-8,12-14,16,19,21H,9-11H2,1-4H3,(H,24,25,26)InChIKey
MXCAHEBFGHVXDZ-UHFFFAOYSA-NSynonyms
(5methyl2propan2ylcyclohexyl)5methyl7(2nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
5methyl2(propan2yl)cyclohexyl5methyl7(2nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
CC1CCC(C(C1)OC(=O)C1=C(C)Nc2n(C1c1ccccc1(N+)(=O)(O))ncn2)C(C)C
CC1CCC(C(C1)OC(=O)C2=C(N=C3N=CNN3C2C4=CC=CC=C4(N+)(=O)(O))C)C(C)C
InChI=1SC23H29N5O4c113(2)1610914(3)1119(16)3222(29)2015(4)262324122527(23)21(20)17756818(17)28(30)31h581214161921H911H214H3(H242526)
MFCD14730416
ZINC000036067930
ZINC000245296631
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