Vitas-M small molecule compound
diethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
Catalog ID
STK007261
SMILES CCOC(=O)CC1=CC(C)(CC(=O)OCC)C(C(=C1C#N)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 C18H20N4O4 MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4/c1-4-25-14(23)6-12-7-17(3,8-15(24)26-5-2)18(10-20,11-21)16(22)13(12)9-19/h7H,4-6,8,22H2,1-3H3InChIKey
JHMKMQFKWGEFCT-UHFFFAOYSA-NSynonyms
(5AMINO446TRICYANO3ETHOXYCARBONYLMETHYL3METHYLCYCLOHEXA15DIENYL)ACETICACIDETHYLESTER
CCOC(=O)CC1=CC(C(C(=C1C#N)N)(C#N)C#N)(C)CC(=O)OCC
CCOC(=O)CC1=CC(C)(CC(=O)OCC)C(C(=C1C#N)N)(C#N)C#N
DIETHYL22(5AMINO446TRICYANO3METHYLCYCLOHEXA15DIENE13DIYL)DIACETATE
ETHYL2(3AMINO244TRICYANO5((ETHOXYCARBONYL)METHYL)5METHYLCYCLOHEXA1(6)2DIENYL)ACETATE
ETHYL2(5AMINO446TRICYANO3(2ETHOXY2OXOETHYL)3METHYLCYCLOHEXA15DIEN1YL)ACETATE
InChI=1SC18H20N4O4c142514(23)612717(3815(24)2652)18(10201121)16(22)13(12)919h7H46822H213H3
MFCD00517759
STK007261
ZINC000003899595
ZINC000003899596
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