Vitas-M small molecule compound
methyl 2-{3-[4-(dimethylamino)phenyl]-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
STL019604
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)N(C)C)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 C29H29N3O5S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S/c1-30(2)18-15-13-17(14-16-18)24-23-25(37-32(24)19-9-5-4-6-10-19)27(34)31(26(23)33)28-22(29(35)36-3)20-11-7-8-12-21(20)38-28/h4-6,9-10,13-16,23-25H,7-8,11-12H2,1-3H3InChIKey
SCUKSXPNAKBVMB-UHFFFAOYSA-NSynonyms
CN(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=CC=C6
InChI=1SC29H29N3O5Sc130(2)18151317(141618)242325(3732(24)1995461019)27(34)31(26(23)33)2822(29(35)363)2011781221(20)3828h4691013162325H781112H213H3
methyl2(3(4(dimethylamino)phenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(4(dimethylamino)phenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02970844
ZINC000102861277
ZINC000245241866
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