Vitas-M small molecule compound

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

Catalog ID
STK102473
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1c1ccccc1

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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 C26H23N5O4S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4S/c1-2-35-21-14-12-20(13-15-21)31-24(18-8-4-3-5-9-18)29-30-26(31)36-17-23(32)28-27-16-19-10-6-7-11-22(19)25(33)34/h3-16H,2,17H2,1H3,(H,28,32)(H,33,34)/b27-16+
InChIKey
ARWOZQWGZLEMCS-JVWAILMASA-N
Synonyms
487026-47-1
(E)2((2(2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(4(4ETHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2((4(4ETHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
487026471
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C(=O)O)C4=CC=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nnc1c1ccccc1
InChI=1SC26H23N5O4Sc123521141220(131521)3124(188435918)293026(31)361723(32)2827161910671122(19)25(33)34h316H217H21H3(H2832)(H3334)b2716+
MFCD03220320
ZINC000001474408
ZINC4468607

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Available files

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