Vitas-M small molecule compound

methyl 4-{(E)-[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate

Catalog ID
STK049270
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Cl

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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 C25H20ClN5O3S MW 505.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O3S/c1-34-24(33)19-9-7-17(8-10-19)15-27-28-22(32)16-35-25-30-29-23(18-11-13-20(26)14-12-18)31(25)21-5-3-2-4-6-21/h2-15H,16H2,1H3,(H,28,32)/b27-15+
InChIKey
CTGBXHDCDGRUQG-JFLMPSFJSA-N
Synonyms
306757-58-4
(E)methyl4((2(2((5(4chlorophenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
306757584
COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI=1SC25H20ClN5O3Sc13424(33)199717(81019)15272822(32)163525302923(18111320(26)141218)31(25)215324621h215H16H21H3(H2832)b2715+
METHYL4((E)((2((5(4CHLOROPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((5(4CHLOROPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD01586889
STK049270
ZINC000001798737
ZINC33344412

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Available files

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