Vitas-M small molecule compound
dimethyl 2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
Catalog ID
STK831927
SMILES COC(=O)CC1=CC(C)(CC(=O)OC)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 C16H16N4O4 MW 328.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4/c1-15(6-13(22)24-3)5-10(4-12(21)23-2)11(7-17)14(20)16(15,8-18)9-19/h5H,4,6,20H2,1-3H3InChIKey
FJAWBSHXZIPTTJ-UHFFFAOYSA-NSynonyms
CC1(C=C(C(=C(C1(C#N)C#N)N)C#N)CC(=O)OC)CC(=O)OC
dimethyl22(5amino446tricyano3methylcyclohexa15diene13diyl)diacetate
InChI=1SC16H16N4O4c115(613(22)243)510(412(21)232)11(717)14(20)16(15818)919h5H4620H213H3
METHYL2(3AMINO244TRICYANO5((METHOXYCARBONYL)METHYL)5METHYLCYCLOHEXA1(6)2DIENYL)ACETATE
METHYL2(5AMINO446TRICYANO3(2METHOXY2OXOETHYL)3METHYLCYCLOHEXA15DIEN1YL)ACETATE
MFCD00517408
ZINC000000028054
ZINC000019300128
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