Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-9-(2-methoxyphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STL000948
SMILES COc1ccccc1C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H19ClN4O5 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O5/c1-31-16-6-3-2-5-13(16)18-17-19(24-10-4-9-23(18)24)21(28)25(20(17)27)12-7-8-14(22)15(11-12)26(29)30/h2-3,5-8,11,17-19H,4,9-10H2,1H3InChIKey
ZUGSKSUVRQAMHQ-UHFFFAOYSA-NSynonyms
1023146-07-71023146077
2(4chloro3nitrophenyl)9(2methoxyphenyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
2(4chloro3nitrophenyl)9(2methoxyphenyl)tetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))N5N2CCC5
COc1ccccc1C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC21H19ClN4O5c13116632513(16)181719(24104923(18)24)21(28)25(20(17)27)127814(22)15(1112)26(29)30h2358111719H4910H21H3
MFCD03672176
ZINC000019168235
ZINC000138543025
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