Vitas-M small molecule compound
[(5E)-5-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428404
SMILES OC(=O)CN1C(=S)S/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)Cl)C)/C1=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 C18H14Cl2N2O3S2 MW 441.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N2O3S2/c1-9-5-11(6-15-17(25)21(8-16(23)24)18(26)27-15)10(2)22(9)12-3-4-13(19)14(20)7-12/h3-7H,8H2,1-2H3,(H,23,24)/b15-6+InChIKey
XQIRFZJAYBGQNJ-GIDUJCDVSA-NSynonyms
((5E)5((1(34dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((1(34DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=C3C(=O)N(C(=S)S3)CC(=O)O
InChI=1SC18H14Cl2N2O3S2c19511(61517(25)21(816(23)24)18(26)2715)10(2)22(9)123413(19)14(20)712h37H8H212H3(H2324)b156+
MFCD03143646
OC(=O)CN1C(=S)SC(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)Cl)C)C1=O
ZINC000002988981
ZINC2988981
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