Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}acetohydrazide

Catalog ID
STL335525
SMILES CCCCCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1

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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 C28H28ClN5O2S MW 534.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5O2S/c1-2-3-7-18-36-25-16-10-21(11-17-25)19-30-31-26(35)20-37-28-33-32-27(22-8-5-4-6-9-22)34(28)24-14-12-23(29)13-15-24/h4-6,8-17,19H,2-3,7,18,20H2,1H3,(H,31,35)/b30-19+
InChIKey
BYJFPPFVIHSFPL-NDZAJKAJSA-N
Synonyms
499115-95-6
(E)2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)N(4(pentyloxy)benzylidene)acetohydrazide
2((4(4chlorophenyl)5phenyl124triazol3yl)sulfanyl)N((E)(4pentoxyphenyl)methylideneamino)acetamide
2((4(4chlorophenyl)5phenyl4H124triazol3yl)sulfanyl)N((E)(4(pentyloxy)phenyl)methylidene)acetohydrazide
499115956
CCCCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
CCCCCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1
InChI=1SC28H28ClN5O2Sc1237183625161021(111725)19303126(35)203728333227(228546922)34(28)24141223(29)131524h4681719H2371820H21H3(H3135)b3019+
MFCD03221267
N((1E)2(4PENTYLOXYPHENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100858288
ZINC101421492

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.