Vitas-M small molecule compound
N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL000925
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2CC(=C)C)c2ccc(cc2)Br)ccc1OCc1ccccc1
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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 C29H28BrN5O3S MW 606.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrN5O3S/c1-20(2)17-35-28(23-10-12-24(30)13-11-23)33-34-29(35)39-19-27(36)32-31-16-22-9-14-25(26(15-22)37-3)38-18-21-7-5-4-6-8-21/h4-16H,1,17-19H2,2-3H3,(H,32,36)/b31-16+InChIKey
KOCYTSTZWMVYBB-WCMJOSRZSA-NSynonyms
330838-32-9(E)N(4(benzyloxy)3methoxybenzylidene)2((5(4bromophenyl)4(2methylallyl)4H124triazol3yl)thio)acetohydrazide
2((5(4bromophenyl)4(2methylprop2enyl)124triazol3yl)sulfanyl)N((E)(3methoxy4phenylmethoxyphenyl)methylideneamino)acetamide
330838329
CC(=C)CN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C4=CC=C(C=C4)Br
COc1cc(C=NNC(=O)CSc2nnc(n2CC(=C)C)c2ccc(cc2)Br)ccc1OCc1ccccc1
InChI=1SC29H28BrN5O3Sc120(2)173528(23101224(30)131123)333429(35)391927(36)3231162291425(26(1522)373)3818217546821h416H11719H223H3(H3236)b3116+
MFCD01841508
N((E)(4(benzyloxy)3methoxyphenyl)methylidene)2((5(4bromophenyl)4(2methylprop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
ZINC000098050410
ZINC103393787
Check stock
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Check stock on Vitas-MAvailable files
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