Vitas-M small molecule compound
(2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Catalog ID
STL171852
SMILES N#Cc1c(NC(=O)/C=C/c2ccc(o2)[N+](=O)[O-])sc2c1CCCC2
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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 C16H13N3O4S MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S/c17-9-12-11-3-1-2-4-13(11)24-16(12)18-14(20)7-5-10-6-8-15(23-10)19(21)22/h5-8H,1-4H2,(H,18,20)/b7-5+InChIKey
DLCANRDCEOGCAO-FNORWQNLSA-NSynonyms
(2E)N(3cyano4567tetrahydro1benzothiophen2yl)3(5nitrofuran2yl)prop2enamide
(E)N(3cyano4567tetrahydro1benzothiophen2yl)3(5nitrofuran2yl)prop2enamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=C(O3)(N+)(=O)(O))C#N
InChI=1SC16H13N3O4Sc1791211312413(11)2416(12)1814(20)75106815(2310)19(21)22h58H14H2(H1820)b75+
MFCD03757947
N#Cc1c(NC(=O)C=Cc2ccc(o2)(N+)(=O)(O))sc2c1CCCC2
ZINC000000356095
ZINC00356095
ZINC356095
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