Vitas-M small molecule compound
1-[5,5-dimethyl-3-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-nitrophenyl)urea
Catalog ID
STK699835
SMILES CSc1ccc(cc1)/C=N/N1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)[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 C20H21N5O4S3 MW 491.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S3/c1-20(2)17(24(27)18(26)22-14-6-8-15(9-7-14)25(28)29)23(19(30)32-20)21-12-13-4-10-16(31-3)11-5-13/h4-12,17,27H,1-3H3,(H,22,26)/b21-12+InChIKey
LJNBQOKVDPBJGC-CIAFOILYSA-NSynonyms
(E)1(55dimethyl3((4(methylthio)benzylidene)amino)2thioxothiazolidin4yl)1hydroxy3(4nitrophenyl)urea
1(55dimethyl3(((E)(4(methylsulfanyl)phenyl)methylidene)amino)2thioxo13thiazolidin4yl)1hydroxy3(4nitrophenyl)urea
1(55dimethyl3((E)(4methylsulfanylphenyl)methylideneamino)2sulfanylidene13thiazolidin4yl)1hydroxy3(4nitrophenyl)urea
CC1(C(N(C(=S)S1)N=CC2=CC=C(C=C2)SC)N(C(=O)NC3=CC=C(C=C3)(N+)(=O)(O))O)C
CSc1ccc(cc1)C=NN1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)(N+)(=O)(O))O)(C)C
InChI=1SC20H21N5O4S3c120(2)17(24(27)18(26)22146815(9714)25(28)29)23(19(30)3220)21121341016(313)11513h4121727H13H3(H2226)b2112+
MFCD01852465
ZINC000008818201
ZINC000008818202
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