Vitas-M small molecule compound
N'-{(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-nitro-1-benzofuran-2-carbohydrazide
Catalog ID
STK382436
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=N/NC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
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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 C25H21N5O4S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O4S/c1-14-9-17(15(2)29(14)25-20(12-26)19-5-3-4-6-23(19)35-25)13-27-28-24(31)22-11-16-10-18(30(32)33)7-8-21(16)34-22/h7-11,13H,3-6H2,1-2H3,(H,28,31)/b27-13+InChIKey
RTVVQOASBMNURI-UVHMKAGCSA-NSynonyms
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=NNC(=O)C4=CC5=C(O4)C=CC(=C5)(N+)(=O)(O)
InChI=1SC25H21N5O4Sc114917(15(2)29(14)2520(1226)19534623(19)3525)13272824(31)2211161018(30(32)33)7821(16)3422h71113H36H212H3(H2831)b2713+
MFCD04041261
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=NNC(=O)c1cc2c(o1)ccc(c2)(N+)(=O)(O)
N((E)(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethyl1Hpyrrol3yl)methylidene)5nitro1benzofuran2carbohydrazide
N((E)(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethylpyrrol3yl)methylideneamino)5nitro1benzofuran2carboxamide
ZINC000015945132
ZINC33438181
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