Vitas-M small molecule compound
(2E,5E)-2-[(5-chloro-2-methylphenyl)imino]-5-[3-nitro-4-(pyrimidin-2-ylsulfanyl)benzylidene]-1,3-thiazolidin-4-one
Catalog ID
STK186591
SMILES Clc1ccc(c(c1)/N=C/1\NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])Sc2ncccn2)/S1)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 C21H14ClN5O3S2 MW 483.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN5O3S2/c1-12-3-5-14(22)11-15(12)25-21-26-19(28)18(32-21)10-13-4-6-17(16(9-13)27(29)30)31-20-23-7-2-8-24-20/h2-11H,1H3,(H,25,26,28)/b18-10+InChIKey
VGECJOPVCROGPG-VCHYOVAHSA-NSynonyms
(2E5E)2((5CHLORO2METHYLPHENYL)IMINO)5(3NITRO4(PYRIMIDIN2YLSULFANYL)BENZYLIDENE)13THIAZOLIDIN4ONE
(5E)2(5chloro2methylanilino)5((3nitro4pyrimidin2ylsulfanylphenyl)methylidene)13thiazol4one
CC1=C(C=C(C=C1)Cl)NC2=NC(=O)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)(N+)(=O)(O))S2
Clc1ccc(c(c1)N=C1NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))Sc2ncccn2)S1)C
InChI=1SC21H14ClN5O3S2c1123514(22)1115(12)25212619(28)18(3221)10134617(16(913)27(29)30)3120237282420h211H1H3(H252628)b1810+
MFCD06664533
ZINC000009907470
ZINC09907470
ZINC9907470
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