Vitas-M small molecule compound
4-[(3aR,4S,8aS,8bS)-1,3-dioxo-4-(phenylcarbonyl)octahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl]phenyl acetate
Catalog ID
STL527953
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1N([C@@H]2C(=O)c2ccccc2)CCC1
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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 C24H22N2O5 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O5/c1-14(27)31-17-11-9-16(10-12-17)26-23(29)19-18-8-5-13-25(18)21(20(19)24(26)30)22(28)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-21H,5,8,13H2,1H3/t18-,19+,20+,21-/m0/s1InChIKey
DTLRGXPHNQYASR-BQJUDKOJSA-NSynonyms
957019-48-6(4((3~(a)~(R)4~(S)8~(a)~(S)8~(b)~(S))4benzoyl13dioxo46788~(a)8~(b)hexahydro3~(a)~(H)pyrrolo(34a)pyrrolizin2yl)phenyl)acetate
16398206
4((3aR4S8aS8bS)13dioxo4(phenylcarbonyl)octahydropyrrolo(34a)pyrrolizin2(3H)yl)phenylacetate
4((3aR4S8aS8bS)4benzoyl13dioxooctahydropyrrolo(34a)pyrrolizin2(3H)yl)phenylacetate
957019486
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1N((C@@H)2C(=O)c2ccccc2)CCC1
InChI=1SC24H22N2O5c114(27)311711916(101217)2623(29)1918851325(18)21(20(19)24(26)30)22(28)156324715h24679121821H5813H21H3t1819+20+21m0s1
MFCD03661070
ZINC000037238524
ZINC37238524
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