Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Catalog ID
STK472812
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1ccc(c(c1)[N+](=O)[O-])Cl)/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 C19H16ClN3O5S MW 433.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O5S/c1-3-4-13-9-14(19(25)28-2)18(29-13)22-17(24)12(10-21)7-11-5-6-15(20)16(8-11)23(26)27/h5-9H,3-4H2,1-2H3,(H,22,24)/b12-7+InChIKey
PBOXTJIZQGCPBT-KPKJPENVSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1ccc(c(c1)(N+)(=O)(O))Cl)C#N)C(=O)OC
InChI=1SC19H16ClN3O5Sc13413914(19(25)282)18(2913)2217(24)12(1021)7115615(20)16(811)23(26)27h59H34H212H3(H2224)b127+
methyl2(((2E)3(4chloro3nitrophenyl)2cyanoprop2enoyl)amino)5propylthiophene3carboxylate
methyl2(((E)3(4chloro3nitrophenyl)2cyanoprop2enoyl)amino)5propylthiophene3carboxylate
METHYL2((2E)3(4CHLORO3NITROPHENYL)2CYANOPROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD07091743
ZINC000017098657
ZINC17098657
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