Vitas-M small molecule compound
3-butyl-5,5-dimethyl-4-[(Z)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene](oxido)-lambda~5~-azanyl]-1,3-thiazolidine-2-thione
Catalog ID
STK700151
SMILES CCCCN1C(=S)SC(C1/[N+](=C/C=C/c1ccc(o1)[N+](=O)[O-])/[O-])(C)C
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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 C16H21N3O4S2 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4S2/c1-4-5-10-17-14(16(2,3)25-15(17)24)18(20)11-6-7-12-8-9-13(23-12)19(21)22/h6-9,11,14H,4-5,10H2,1-3H3/b7-6+,18-11-InChIKey
MXSSMVDONZKESZ-XWCXEMTOSA-NSynonyms
(E)N(3BUTYL55DIMETHYL2SULFANYLIDENE13THIAZOLIDIN4YL)3(5NITROFURAN2YL)PROP2EN1IMINEOXIDE
(Z)3butyl55dimethylN((E)3(5nitrofuran2yl)allylidene)2thioxothiazolidin4amineoxide
3butyl55dimethyl4((Z)((2E)3(5nitrofuran2yl)prop2en1ylidene)(oxido)lambda~5~azanyl)13thiazolidine2thione
3BUTYL55DIMETHYL4((Z)((2E)3(5NITROFURAN2YL)PROP2EN1YLIDENE)(OXIDO)LAMBDA5AZANYL)13THIAZOLIDINE2THIONE
CCCCN1C(=S)SC(C1(N+)(=CC=Cc1ccc(o1)(N+)(=O)(O))(O))(C)C
CCCCN1C(C(SC1=S)(C)C)(N+)(=CC=CC2=CC=C(O2)(N+)(=O)(O))(O)
InChI=1SC16H21N3O4S2c145101714(16(23)2515(17)24)18(20)1167128913(2312)19(21)22h691114H4510H213H3b76+1811
MFCD01561351
ZINC000004785562
ZINC000004785563
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