Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(4-chlorophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindole-6-carboxamide
Catalog ID
STK597821
SMILES Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(=O)N
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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 C17H14ClN3O4 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4/c18-7-3-1-6(2-4-7)13-12-8-5-9(14(12)25-20-13)11-10(8)15(22)21(16(11)23)17(19)24/h1-4,8-12,14H,5H2,(H2,19,24)/t8-,9+,10+,11-,12+,14+/m0/s1InChIKey
MPSJHMBCVFQUSU-NGBGQIEVSA-NSynonyms
1212122-19-4(3aR4R4aR7aS8R8aR)3(4chlorophenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindole6carboxamide
(3aR4R4aR7aS8R8aR)3(4chlorophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindole6(4H)carboxamide
1212122194
C1C2C3C(C1C4C2C(=NO4)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C(=O)N
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C(=O)N
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C(=O)N
InChI=1SC17H14ClN3O4c187316(247)1312859(14(12)252013)1110(8)15(22)21(16(11)23)17(19)24h1481214H5H2(H21924)t89+1011+1214m1s1
MFCD18246071
ZINC000005206542
Check stock
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Check stock on Vitas-MAvailable files
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