Vitas-M small molecule compound
2-(1H-benzimidazol-2-yl)-3-(3-chloro-6-nitro-1-benzothiophen-2-yl)-3-oxopropanenitrile
Catalog ID
STK544126
SMILES N#CC(C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])c1nc2c([nH]1)cccc2
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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 C18H9ClN4O3S MW 396.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9ClN4O3S/c19-15-10-6-5-9(23(25)26)7-14(10)27-17(15)16(24)11(8-20)18-21-12-3-1-2-4-13(12)22-18/h1-7,11H,(H,21,22)InChIKey
OVQADOZSWCWWKQ-UHFFFAOYSA-NSynonyms
488804-72-42(1Hbenzimidazol2yl)3(3chloro6nitro1benzothiophen2yl)3oxopropanenitrile
2(1Hbenzo(d)imidazol2yl)3(3chloro6nitrobenzo(b)thiophen2yl)3oxopropanenitrile
488804724
C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC18H9ClN4O3Sc191510659(23(25)26)714(10)2717(15)16(24)11(820)182112312413(12)2218h1711H(H2122)
MFCD01556909
N#CC(C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000002318313
ZINC000002318314
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