Vitas-M small molecule compound
propan-2-yl 4-(2-chloro-5-nitrophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Catalog ID
STK228796
SMILES CC(OC(=O)C1=C(C)Nc2n(C1c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1n2)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 C21H19ClN4O4 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4/c1-11(2)30-20(27)18-12(3)23-21-24-16-6-4-5-7-17(16)25(21)19(18)14-10-13(26(28)29)8-9-15(14)22/h4-11,19H,1-3H3,(H,23,24)InChIKey
IAYJICHGIWOWDZ-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)Nc2n(C1c1cc(ccc1Cl)(N+)(=O)(O))c1ccccc1n2)C
CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)OC(C)C
InChI=1SC21H19ClN4O4c111(2)3020(27)1812(3)23212416645717(16)25(21)19(18)141013(26(28)29)8915(14)22h41119H13H3(H2324)
METHYLETHYL4(2CHLORO5NITROPHENYL)2METHYL145TRIHYDROPYRIMIDINO(12A)BENZIMIDAZOLE3CARBOXYLATE
MFCD08076256
PROPAN2YL4(2CHLORO5NITROPHENYL)2METHYL14DIHYDROPYRIMIDO(12A)BENZIMIDAZOLE3CARBOXYLATE
ZINC000009289248
ZINC000009289249
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