Vitas-M small molecule compound
(5E)-3-butyl-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK396563
SMILES CCCCN1C(=S)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=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 C14H14N2O3S2 MW 322.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3S2/c1-2-3-8-15-13(17)12(21-14(15)20)9-10-4-6-11(7-5-10)16(18)19/h4-7,9H,2-3,8H2,1H3/b12-9+InChIKey
BFKHUMGORFAFBA-FMIVXFBMSA-NSynonyms
(5E)3BUTYL5((4NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3BUTYL5(4NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
3BUTYL5(4NITROBENZYLIDENE)2THIOXOTHIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CC=C(C=C2)(N+)(=O)(O))SC1=S
CCCCN1C(=S)SC(=Cc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC14H14N2O3S2c12381513(17)12(2114(15)20)9104611(7510)16(18)19h479H238H21H3b129+
MFCD00416792
ZINC000004579126
ZINC04579126
ZINC4579126
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