Vitas-M small molecule compound
methyl 3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-1H-indole-4-carboxylate
Catalog ID
STL161390
SMILES CNC(=O)/C(=C/c1c[nH]c2c1c(ccc2)C(=O)OC)/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 C15H13N3O3 MW 283.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O3/c1-17-14(19)9(7-16)6-10-8-18-12-5-3-4-11(13(10)12)15(20)21-2/h3-6,8,18H,1-2H3,(H,17,19)/b9-6+InChIKey
UCKLOGNSWNNYHA-RMKNXTFCSA-NSynonyms
1246086-08-7(E)methyl3(2cyano3(methylamino)3oxoprop1en1yl)1Hindole4carboxylate
1246086087
CNC(=O)C(=CC1=CNC2=CC=CC(=C21)C(=O)OC)C#N
CNC(=O)C(=Cc1c(nH)c2c1c(ccc2)C(=O)OC)C#N
InChI=1SC15H13N3O3c11714(19)9(716)6108181253411(13(10)12)15(20)212h36818H12H3(H1719)b96+
methyl3((1E)2cyano3(methylamino)3oxoprop1en1yl)1Hindole4carboxylate
methyl3((E)2cyano3(methylamino)3oxoprop1enyl)1Hindole4carboxylate
MFCD18070165
ZINC000049550580
ZINC49550580
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