Vitas-M small molecule compound
methyl 5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL002144
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccc(cc1)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 C21H18ClN3O5 MW 427.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5/c1-11-14(22)5-4-6-15(11)24-19(26)16-17(21(28)30-3)23-25(18(16)20(24)27)12-7-9-13(29-2)10-8-12/h4-10,16,18H,1-3H3InChIKey
SICSYKJAIHVUAS-UHFFFAOYSA-NSynonyms
1024264-41-21024264412
CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=C(C=C4)OC
InChI=1SC21H18ClN3O5c11114(22)54615(11)2419(26)1617(21(28)303)2325(18(16)20(24)27)127913(292)10812h4101618H13H3
methyl5(3chloro2methylphenyl)1(4methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3CHLORO2METHYLPHENYL)1(4METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04196301
ZINC000013786981
ZINC000101172107
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