Vitas-M small molecule compound

3-(3,4-dichlorophenyl)-1-[3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl]-1-hydroxyurea

Catalog ID
STK699679
SMILES O=C(N(C1N(/N=C/c2ccc(cc2)N(C)C)C(=S)SC1(C)C)O)Nc1ccc(c(c1)Cl)Cl

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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 C21H23Cl2N5O2S2 MW 512.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2N5O2S2/c1-21(2)18(28(30)19(29)25-14-7-10-16(22)17(23)11-14)27(20(31)32-21)24-12-13-5-8-15(9-6-13)26(3)4/h5-12,18,30H,1-4H3,(H,25,29)/b24-12+
InChIKey
KLBVCVMYMUURMQ-WYMPLXKRSA-N
Synonyms

(E)3(34dichlorophenyl)1(3((4(dimethylamino)benzylidene)amino)55dimethyl2thioxothiazolidin4yl)1hydroxyurea
3(34dichlorophenyl)1(3(((E)(4(dimethylamino)phenyl)methylidene)amino)55dimethyl2thioxo13thiazolidin4yl)1hydroxyurea
3(34dichlorophenyl)1(3((E)(4(dimethylamino)phenyl)methylideneamino)55dimethyl2sulfanylidene13thiazolidin4yl)1hydroxyurea
CC1(C(N(C(=S)S1)N=CC2=CC=C(C=C2)N(C)C)N(C(=O)NC3=CC(=C(C=C3)Cl)Cl)O)C
InChI=1SC21H23Cl2N5O2S2c121(2)18(28(30)19(29)251471016(22)17(23)1114)27(20(31)3221)2412135815(9613)26(3)4h5121830H14H3(H2529)b2412+
MFCD01561374
O=C(N(C1N(N=Cc2ccc(cc2)N(C)C)C(=S)SC1(C)C)O)Nc1ccc(c(c1)Cl)Cl
ZINC000008951265
ZINC000008951401

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Available files

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