Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide

Catalog ID
STK063984
SMILES COc1cc(ccc1OC)/C(=N\NC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)Cl)/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 C26H30ClN5O3S MW 528.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN5O3S/c1-17(19-11-14-22(34-2)23(15-19)35-3)28-29-24(33)16-36-26-31-30-25(18-9-12-20(27)13-10-18)32(26)21-7-5-4-6-8-21/h9-15,21H,4-8,16H2,1-3H3,(H,29,33)/b28-17-
InChIKey
DQNJSMYMMRKIRF-QRQIAZFYSA-N
Synonyms

(E)2((5(4chlorophenyl)4cyclohexyl4H124triazol3yl)thio)N(1(34dimethoxyphenyl)ethylidene)acetohydrazide
2((5(4CHLOROPHENYL)4CYCLOHEXYL124TRIAZOL3YL)SULFANYL)N((Z)1(34DIMETHOXYPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4CYCLOHEXYL4H124TRIAZOL3YL)SULFANYL)N((1Z)1(34DIMETHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C(=NNC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)Cl)C
InChI=1SC26H30ClN5O3Sc117(19111422(342)23(1519)353)282924(33)163626313025(1891220(27)131018)32(26)217546821h91521H4816H213H3(H2933)b2817
MFCD03221002
N((1Z)2(34DIMETHOXYPHENYL)1AZAPROP1ENYL)2(5(4CHLOROPHENYL)4CYCLOHEXYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK063984
ZINC000009553742
ZINC13564350

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Available files

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