Vitas-M small molecule compound
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL343505
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1
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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 C20H16ClN3O4 MW 397.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O4/c1-11-13(21)9-6-10-14(11)23-18(25)15-16(20(27)28-2)22-24(17(15)19(23)26)12-7-4-3-5-8-12/h3-10,15,17H,1-2H3InChIKey
JIOWDABCXAKUTG-UHFFFAOYSA-NSynonyms
1008373-72-51008373725
CC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=CC=C4
InChI=1SC20H16ClN3O4c11113(21)961014(11)2318(25)1516(20(27)282)2224(17(15)19(23)26)127435812h3101517H12H3
methyl5(3chloro2methylphenyl)46dioxo1phenyl13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3CHLORO2METHYLPHENYL)46DIOXO1PHENYL3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04166773
ZINC000005177967
ZINC000101112310
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