Vitas-M small molecule compound
methyl 5-(3-chloro-2-methylphenyl)-1-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL342717
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1C
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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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-11-7-4-5-9-14(11)25-18-16(17(23-25)21(28)29-3)19(26)24(20(18)27)15-10-6-8-13(22)12(15)2/h4-10,16,18H,1-3H3InChIKey
RJJYGIJYNCRJQU-UHFFFAOYSA-NSynonyms
1008974-32-01008974320
CC1=CC=CC=C1N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C
InChI=1SC21H18ClN3O4c111745914(11)251816(17(2325)21(28)293)19(26)24(20(18)27)15106813(22)12(15)2h4101618H13H3
methyl5(3chloro2methylphenyl)1(2methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3CHLORO2METHYLPHENYL)1(2METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
methyl5(3chloro2methylphenyl)46dioxo1(otolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
MFCD04158028
ZINC000005149507
ZINC000101096765
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