Vitas-M small molecule compound
2-[2-(4-chlorophenyl)-3-(3-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL019616
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1cccc(c1)[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 C26H19ClN4O5S MW 534.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN4O5S/c27-15-8-10-16(11-9-15)30-22(14-4-3-5-17(12-14)31(34)35)21-23(36-30)25(33)29(24(21)32)26-19(13-28)18-6-1-2-7-20(18)37-26/h3-5,8-12,21-23H,1-2,6-7H2InChIKey
ZEKGEUXQBBSNIS-UHFFFAOYSA-NSynonyms
2(2(4chlorophenyl)3(3nitrophenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(2(4chlorophenyl)3(3nitrophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(N(OC4C3=O)C5=CC=C(C=C5)Cl)C6=CC(=CC=C6)(N+)(=O)(O))C#N
InChI=1SC26H19ClN4O5Sc271581016(11915)3022(1443517(1214)31(34)35)2123(3630)25(33)29(24(21)32)2619(1328)18612720(18)3726h358122123H1267H2
MFCD02971023
N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1cccc(c1)(N+)(=O)(O)
ZINC000102912248
ZINC000229968594
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