Vitas-M small molecule compound
1-(5,5-dimethyl-3-{[(E)-thiophen-2-ylmethylidene]amino}-2-thioxo-1,3-thiazolidin-4-yl)-1-hydroxy-3-(4-nitrophenyl)urea
Catalog ID
STK700266
SMILES O=C(N(C1N(/N=C/c2cccs2)C(=S)SC1(C)C)O)Nc1ccc(cc1)[N+](=O)[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 C17H17N5O4S3 MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S3/c1-17(2)14(20(16(27)29-17)18-10-13-4-3-9-28-13)21(24)15(23)19-11-5-7-12(8-6-11)22(25)26/h3-10,14,24H,1-2H3,(H,19,23)/b18-10+InChIKey
CRJFADGEIIXCTC-VCHYOVAHSA-NSynonyms
(E)1(55dimethyl3((thiophen2ylmethylene)amino)2thioxothiazolidin4yl)1hydroxy3(4nitrophenyl)urea
1(55dimethyl2sulfanylidene3((E)thiophen2ylmethylideneamino)13thiazolidin4yl)1hydroxy3(4nitrophenyl)urea
1(55dimethyl3(((E)thiophen2ylmethylidene)amino)2thioxo13thiazolidin4yl)1hydroxy3(4nitrophenyl)urea
CC1(C(N(C(=S)S1)N=CC2=CC=CS2)N(C(=O)NC3=CC=C(C=C3)(N+)(=O)(O))O)C
InChI=1SC17H17N5O4S3c117(2)14(20(16(27)2917)1810134392813)21(24)15(23)19115712(8611)22(25)26h3101424H12H3(H1923)b1810+
MFCD01857882
O=C(N(C1N(N=Cc2cccs2)C(=S)SC1(C)C)O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000008817194
ZINC000008817195
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