Vitas-M small molecule compound

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

Catalog ID
STK090959
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)N/N=C/c1ccccc1C(=O)O

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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 C24H17Cl2N5O3S MW 526.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Cl2N5O3S/c25-17-7-5-15(6-8-17)22-29-30-24(31(22)19-11-9-18(26)10-12-19)35-14-21(32)28-27-13-16-3-1-2-4-20(16)23(33)34/h1-13H,14H2,(H,28,32)(H,33,34)/b27-13+
InChIKey
HKSPVYAHDMDLJN-UVHMKAGCSA-N
Synonyms
488745-37-5
(E)2((2(2((45bis(4chlorophenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(45BIS(4CHLOROPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((2(45BIS(4CHLOROPHENYL)4H(124)TRIAZOL3YLSULFANYL)ACETYL)HYDRAZONOMETHYL)BENZOICACID
2((E)((2((45BIS(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((45BIS(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
488745375
C1=CC=C(C(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O
InChI=1SC24H17Cl2N5O3Sc25177515(6817)22293024(31(22)1911918(26)101219)351421(32)28271316312420(16)23(33)34h113H14H2(H2832)(H3334)b2713+
MFCD03091563
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)NN=Cc1ccccc1C(=O)O
STK090959
ZINC000002340215
ZINC73116269

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Available files

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