Vitas-M small molecule compound
N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Catalog ID
STL036163
SMILES COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1cccc2c1non2
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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 C21H18N4O4S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S2/c1-28-14-9-7-13(8-10-14)12-17-20(27)25(21(30)31-17)11-3-6-18(26)22-15-4-2-5-16-19(15)24-29-23-16/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,22,26)/b17-12-InChIKey
AJQUBQVXTNMDNV-ATVHPVEESA-NSynonyms
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC4=NON=C43
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)Nc1cccc2c1non2
InChI=1SC21H18N4O4S2c128149713(81014)121720(27)25(21(30)3117)113618(26)22154251619(15)24292316h24571012H3611H21H3(H2226)b1712
MFCD18192349
N(213benzoxadiazol4yl)4((5Z)5((4methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanamide
N(213benzoxadiazol4yl)4((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)butanamide
NBENZO(C)125OXADIAZOL4YL4(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANAMIDE
ZINC000054360627
ZINC54360627
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