Vitas-M small molecule compound

butyl 2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL021038
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCCC2

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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 C27H25N3O6S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6S/c1-2-3-14-35-27(32)24-21-6-4-5-7-23(21)37-26(24)29-25(31)18(16-28)15-20-12-13-22(36-20)17-8-10-19(11-9-17)30(33)34/h8-13,15H,2-7,14H2,1H3,(H,29,31)/b18-15+
InChIKey
TXIXXGZNOVQFEN-OBGWFSINSA-N
Synonyms
487033-31-8
(E)butyl2(2cyano3(5(4nitrophenyl)furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
487033318
butyl2(((2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C#N)sc2c1CCCC2
InChI=1SC27H25N3O6Sc123143527(32)2421645723(21)3726(24)2925(31)18(1628)1520121322(3620)1781019(11917)30(33)34h81315H2714H21H3(H2931)b1815+
MFCD03287103
ZINC000002322215
ZINC02322215
ZINC2322215

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Available files

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