Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[1-(2,6-dichlorobenzyl)-1H-indol-3-yl]prop-2-enoyl}amino)-5-propylthiophene-3-carboxylate
Catalog ID
STK472862
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)/C#N)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 C28H23Cl2N3O3S MW 552.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23Cl2N3O3S/c1-3-7-19-13-21(28(35)36-2)27(37-19)32-26(34)17(14-31)12-18-15-33(25-11-5-4-8-20(18)25)16-22-23(29)9-6-10-24(22)30/h4-6,8-13,15H,3,7,16H2,1-2H3,(H,32,34)/b17-12+InChIKey
AFKOHVLABJBELP-SFQUDFHCSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=C(C=CC=C4Cl)Cl)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)C#N)C(=O)OC
InChI=1SC28H23Cl2N3O3Sc137191321(28(35)362)27(3719)3226(34)17(1431)12181533(251154820(18)25)162223(29)961024(22)30h4681315H3716H212H3(H3234)b1712+
methyl2(((2E)2cyano3(1(26dichlorobenzyl)1Hindol3yl)prop2enoyl)amino)5propylthiophene3carboxylate
methyl2(((E)2cyano3(1((26dichlorophenyl)methyl)indol3yl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2((2E)3(1((26DICHLOROPHENYL)METHYL)INDOL3YL)2CYANOPROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD07091749
ZINC000097965807
ZINC97965807
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