Vitas-M small molecule compound
methyl 3-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-1H-indole-4-carboxylate
Catalog ID
STL154641
SMILES COC(=O)c1cccc2c1c(c[nH]2)/C=C(/C(=O)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 C14H11N3O3 MW 269.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O3/c1-20-14(19)10-3-2-4-11-12(10)9(7-17-11)5-8(6-15)13(16)18/h2-5,7,17H,1H3,(H2,16,18)/b8-5+InChIKey
OPJXBBMLMABIEU-VMPITWQZSA-NSynonyms
1246086-21-4(E)methyl3(3amino2cyano3oxoprop1en1yl)1Hindole4carboxylate
1246086214
COC(=O)C1=C2C(=CC=C1)NC=C2C=C(C#N)C(=O)N
COC(=O)c1cccc2c1c(c(nH)2)C=C(C(=O)N)C#N
InChI=1SC14H11N3O3c12014(19)103241112(10)9(71711)58(615)13(16)18h25717H1H3(H21618)b85+
methyl3((1E)3amino2cyano3oxoprop1en1yl)1Hindole4carboxylate
methyl3((E)3amino2cyano3oxoprop1enyl)1Hindole4carboxylate
MFCD18066741
ZINC000049545848
ZINC49545848
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