Vitas-M small molecule compound
propan-2-yl (3aS,6aS)-5-(3-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL546350
SMILES COc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)OC(C)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 C16H17N3O5 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5/c1-8(2)24-16(22)13-11-12(17-18-13)15(21)19(14(11)20)9-5-4-6-10(7-9)23-3/h4-8,11-12,17H,1-3H3/t11-,12-/m0/s1InChIKey
BHVHADKSKYPSAH-RYUDHWBXSA-NSynonyms
364375-67-7(3aS6aS)isopropyl5(3methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
364375677
927891
COc1cccc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NN2)C(=O)OC(C)C
InChI=1SC16H17N3O5c18(2)2416(22)131112(171813)15(21)19(14(11)20)954610(79)233h48111217H13H3t1112m0s1
MFCD01082464
propan2yl(3~(a)~(S)6~(a)~(S))5(3methoxyphenyl)46dioxo3~(a)6~(a)dihydro1~(H)pyrrolo(34c)pyrazole3carboxylate
propan2yl(3aS6aS)5(3methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
PROPAN2YL(3AS6AS)5(3METHOXYPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ZINC000006159850
ZINC6159850
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