Vitas-M small molecule compound
dimethyl 2-{[(2Z)-2-cyano-3-phenylprop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Catalog ID
STL331556
SMILES N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-27-20(25)14-8-9-15-16(14)17(21(26)28-2)19(29-15)23-18(24)13(11-22)10-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,23,24)/b13-10-InChIKey
ORZRKPHIBQSETJ-RAXLEYEMSA-NSynonyms
307536-84-1(Z)dimethyl2(2cyano3phenylacrylamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
307536841
COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C(=CC3=CC=CC=C3)C#N)C(=O)OC
dimethyl2(((2Z)2cyano3phenylprop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
dimethyl2(((Z)2cyano3phenylprop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC21H18N2O5Sc12720(25)14891516(14)17(21(26)282)19(2915)2318(24)13(1122)10126435712h371014H89H212H3(H2324)b1310
MFCD02999908
N#CC(=Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC
ZINC000004860524
ZINC000004860526
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