Vitas-M small molecule compound

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

Catalog ID
STK103661
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(C)C)nnc1c1ccc(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 C28H28ClN5O2S MW 534.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5O2S/c1-4-36-25-15-13-24(14-16-25)34-27(22-9-11-23(29)12-10-22)32-33-28(34)37-18-26(35)31-30-17-20-5-7-21(8-6-20)19(2)3/h5-17,19H,4,18H2,1-3H3,(H,31,35)/b30-17+
InChIKey
WFRWMPAASKMATM-OCSSWDANSA-N
Synonyms
499182-68-2
(E)2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)N(4isopropylbenzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(4(PROPAN2YL)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
499182682
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)Cl
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(C)C)nnc1c1ccc(cc1)Cl
InChI=1SC28H28ClN5O2Sc143625151324(141625)3427(2291123(29)121022)323328(34)371826(35)313017205721(8620)19(2)3h51719H418H213H3(H3135)b3017+
MFCD03220295
N((1E)2(4(METHYLETHYL)PHENYL)1AZAVINYL)2(5(4CHLOROPHENYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001829516
ZINC101507002

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Available files

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