Vitas-M small molecule compound
N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK189912
SMILES COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2)OC
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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 C21H19ClN6O5 MW 470.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O5/c1-11-18(20(29)26-15-9-16(32-2)14(22)8-17(15)33-3)19(27-21(25-11)23-10-24-27)12-5-4-6-13(7-12)28(30)31/h4-10,19H,1-3H3,(H,26,29)(H,23,24,25)InChIKey
WSVJFDCIBBJJCE-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)NC4=CC(=C(C=C4OC)Cl)OC
COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2)OC
InChI=1SC21H19ClN6O5c11118(20(29)2615916(322)14(22)817(15)333)19(2721(2511)23102427)1254613(712)28(30)31h41019H13H3(H2629)(H232425)
MFCD06757527
N(4chloro25dimethoxyphenyl)5methyl7(3nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4CHLORO25DIMETHOXYPHENYL)5METHYL7(3NITROPHENYL)47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
ZINC000009908216
ZINC000009908217
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