Vitas-M small molecule compound
(2Z)-2-cyano-3-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enethioamide
Catalog ID
STL196027
SMILES N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])n(c(=O)n2C)C)/C(=S)N
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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 C13H11N5O3S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O3S/c1-16-10-4-7(3-8(6-14)12(15)22)9(18(20)21)5-11(10)17(2)13(16)19/h3-5H,1-2H3,(H2,15,22)/b8-3-InChIKey
BVPFSPPSWIILAS-BAQGIRSFSA-NSynonyms
(2Z)2cyano3(13dimethyl6nitro2oxo23dihydro1Hbenzimidazol5yl)prop2enethioamide
(Z)2cyano3(13dimethyl6nitro2oxobenzimidazol5yl)prop2enethioamide
CN1C2=C(C=C(C(=C2)C=C(C#N)C(=S)N)(N+)(=O)(O))N(C1=O)C
InChI=1SC13H11N5O3Sc1161047(38(614)12(15)22)9(18(20)21)511(10)17(2)13(16)19h35H12H3(H21522)b83
MFCD22391743
N#CC(=Cc1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C)C(=S)N
ZINC000072334084
ZINC72334084
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