Vitas-M small molecule compound
methyl 4-[(Z)-(3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Catalog ID
STK837335
SMILES COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)Nc1nnc(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 C18H16N4O4S3 MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S3/c1-10-20-21-17(28-10)19-14(23)7-8-22-15(24)13(29-18(22)27)9-11-3-5-12(6-4-11)16(25)26-2/h3-6,9H,7-8H2,1-2H3,(H,19,21,23)/b13-9-InChIKey
GNEJKADRGVXSCS-LCYFTJDESA-NSynonyms
(Z)methyl4((3(3((5methyl134thiadiazol2yl)amino)3oxopropyl)4oxo2thioxothiazolidin5ylidene)methyl)benzoate
CC1=NN=C(S1)NC(=O)CCN2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=S
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)Nc1nnc(s1)C
InChI=1SC18H16N4O4S3c110202117(2810)1914(23)782215(24)13(2918(22)27)9113512(6411)16(25)262h369H78H212H3(H192123)b139
METHYL4((3(2(N(5METHYL(134THIADIAZOL2YL))CARBAMOYL)ETHYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
METHYL4((Z)(3(3((5METHYL134THIADIAZOL2YL)AMINO)3OXOPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((Z)(3(3((5methyl134thiadiazol2yl)amino)3oxopropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoate
MFCD02331927
ZINC000017044568
ZINC17044568
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