Vitas-M small molecule compound
methyl 2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020317
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)[N+](=O)[O-])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 C27H23N3O7S MW 533.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O7S/c1-36-27(33)20-18-9-5-6-10-19(18)38-26(20)28-24(31)21-22(15-11-13-17(14-12-15)30(34)35)29(37-23(21)25(28)32)16-7-3-2-4-8-16/h2-4,7-8,11-14,21-23H,5-6,9-10H2,1H3InChIKey
FIYGEGLBLLMZJD-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC27H23N3O7Sc13627(33)20189561019(18)3826(20)2824(31)2122(15111317(141215)30(34)35)29(3723(21)25(28)32)167324816h247811142123H56910H21H3
methyl2(3(4nitrophenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(4nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02970744
ZINC000102863136
ZINC000245238180
Check stock
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