Vitas-M small molecule compound
{(3aR,4R,4aR,7aS,8R,8aR)-3-[2-(cyanomethoxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}acetic acid
Catalog ID
STK583853
SMILES N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CC(=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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c21-5-6-28-12-4-2-1-3-9(12)17-16-10-7-11(18(16)29-22-17)15-14(10)19(26)23(20(15)27)8-13(24)25/h1-4,10-11,14-16,18H,6-8H2,(H,24,25)/t10-,11+,14+,15-,16+,18+/m0/s1InChIKey
NUBNMMZXQRFNIK-CROADAMWSA-NSynonyms
1212311-83-5((3aR4R4aR7aS8R8aR)3(2(cyanomethoxy)phenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)aceticacid
1212311835
2((3aR4R4aR7aS8R8aR)3(2(cyanomethoxy)phenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)aceticacid
C1C2C3C(C1C4C2C(=NO4)C5=CC=CC=C5OCC#N)C(=O)N(C3=O)CC(=O)O
InChI=1SC20H17N3O6c2156281242139(12)171610711(18(16)292217)1514(10)19(26)23(20(15)27)813(24)25h141011141618H68H2(H2425)t1011+1415+1618m1s1
MFCD18245732
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)CC(=O)O
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)CC(=O)O
ZINC000005244292
Check stock
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Check stock on Vitas-MAvailable files
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