Vitas-M small molecule compound
N'-[(E)-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
Catalog ID
STK385705
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(s2)C)ccc1OCc1ccccc1C
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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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-14-6-4-5-7-17(14)12-28-18-9-8-16(10-19(18)27-3)11-22-24-20(26)13-29-21-25-23-15(2)30-21/h4-11H,12-13H2,1-3H3,(H,24,26)/b22-11+InChIKey
BIBJVJRNIRQKIS-SSDVNMTOSA-NSynonyms
CC1=CC=CC=C1COC2=C(C=C(C=C2)C=NNC(=O)CSC3=NN=C(S3)C)OC
COc1cc(C=NNC(=O)CSc2nnc(s2)C)ccc1OCc1ccccc1C
InChI=1SC21H22N4O3S2c114645717(14)1228189816(1019(18)273)11222420(26)132921252315(2)3021h411H1213H213H3(H2426)b2211+
MFCD03327776
N((1E)2(3METHOXY4((2METHYLPHENYL)METHOXY)PHENYL)1AZAVINYL)2(5METHYL(134THIADIAZOL2YLTHIO))ACETAMIDE
N((E)(3METHOXY4((2METHYLBENZYL)OXY)PHENYL)METHYLIDENE)2((5METHYL134THIADIAZOL2YL)SULFANYL)ACETOHYDRAZIDE
N((E)(3methoxy4((2methylphenyl)methoxy)phenyl)methylideneamino)2((5methyl134thiadiazol2yl)sulfanyl)acetamide
ZINC000008722079
ZINC34379928
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