Vitas-M small molecule compound
2-{3-[(8aR)-6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-1H-isochromen-8-yl]phenoxy}acetamide
Catalog ID
STK547545
SMILES N#CC1=C(N)C(C([C@@H]2C1=CCOC2)c1cccc(c1)OCC(=O)N)(C#N)C#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 C20H17N5O3 MW 375.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O3/c21-7-15-14-4-5-27-8-16(14)18(20(10-22,11-23)19(15)25)12-2-1-3-13(6-12)28-9-17(24)26/h1-4,6,16,18H,5,8-9,25H2,(H2,24,26)/t16-,18?/m0/s1InChIKey
IHOGMGCCONQDMY-ATNAJCNCSA-NSynonyms
494794-25-12(3((8aR)6amino577tricyano1388atetrahydroisochromen8yl)phenoxy)acetamide
2(3((8aR)6amino577tricyano3788atetrahydro1Hisochromen8yl)phenoxy)acetamide
494794251
C1C=C2C(CO1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)OCC(=O)N
InChI=1SC20H17N5O3c21715144527816(14)18(20(10221123)19(15)25)1221313(612)28917(24)26h1461618H58925H2(H22426)t1618?m0s1
MFCD18242351
N#CC1=C(N)C(C((C@@H)2C1=CCOC2)c1cccc(c1)OCC(=O)N)(C#N)C#N
ZINC000002193845
ZINC000002193847
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