Vitas-M small molecule compound
4-{(E)-[2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STL333199
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)ccc1OC(=O)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 C21H20N4O4S3 MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S3/c1-14(26)29-17-9-8-16(10-18(17)28-2)11-22-23-19(27)13-31-21-25-24-20(32-21)30-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,27)/b22-11+InChIKey
NDVDBJFWYZRAPO-SSDVNMTOSA-NSynonyms
315201-59-3(4((E)((2((5BENZYLSULFANYL134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)ACETATE
(E)4((2(2((5(benzylthio)134thiadiazol2yl)thio)acetyl)hydrazono)methyl)2methoxyphenylacetate
315201593
4((E)(2(((5(benzylsulfanyl)134thiadiazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)OC
COc1cc(C=NNC(=O)CSc2nnc(s2)SCc2ccccc2)ccc1OC(=O)C
InChI=1SC21H20N4O4S3c114(26)29179816(1018(17)282)11222319(27)133121252420(3221)3012156435715h311H1213H212H3(H2327)b2211+
MFCD02075721
ZINC000002321523
ZINC33360533
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