Vitas-M small molecule compound
ethyl 2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020386
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccc(cc1)[N+](=O)[O-]
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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 C29H27N3O7S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O7S/c1-3-38-29(35)22-19-9-5-7-11-21(19)40-28(22)30-26(33)23-24(17-12-14-18(15-13-17)32(36)37)31(39-25(23)27(30)34)20-10-6-4-8-16(20)2/h4,6,8,10,12-15,23-25H,3,5,7,9,11H2,1-2H3InChIKey
GAKOOUXIFVPRHC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5C)C6=CC=C(C=C6)(N+)(=O)(O)
CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccc(cc1)(N+)(=O)(O)
ethyl2(2(2methylphenyl)3(4nitrophenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(2methylphenyl)3(4nitrophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H27N3O7Sc133829(35)22199571121(19)4028(22)3026(33)2324(17121418(151317)32(36)37)31(3925(23)27(30)34)201064816(20)2h4681012152325H357911H212H3
MFCD02971319
ZINC000102862078
ZINC000238899369
Check stock
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