Vitas-M small molecule compound

methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK952717
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)Nc1sc(c(c1C(=O)OC)C)C

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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 C22H16ClN3O6S MW 485.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O6S/c1-11-12(2)33-21(19(11)22(28)31-3)25-20(27)14(10-24)8-15-5-7-18(32-15)13-4-6-16(23)17(9-13)26(29)30/h4-9H,1-3H3,(H,25,27)/b14-8+
InChIKey
AVGFNKISCUMWBF-RIYZIHGNSA-N
Synonyms
468749-65-7
(E)methyl2(3(5(4chloro3nitrophenyl)furan2yl)2cyanoacrylamido)45dimethylthiophene3carboxylate
468749657
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C#N)C
InChI=1SC22H16ClN3O6Sc11112(2)3321(19(11)22(28)313)2520(27)14(1024)8155718(3215)134616(23)17(913)26(29)30h49H13H3(H2527)b148+
methyl2(((2E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)3(5(4CHLORO3NITROPHENYL)FURAN2YL)2CYANOPROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(5(4CHLORO3NITROPHENYL)(2FURYL))2CYANOPROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02371068
N#CC(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000002326175
ZINC02326175
ZINC2326175

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Available files

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