Vitas-M small molecule compound
(2-{(Z)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Catalog ID
STK564718
SMILES CCn1c(SCC(=O)N/N=C\c2ccccc2OCC(=O)[O-])[nH+]nc1c1ccc(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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-2-27-20(14-7-9-16(22)10-8-14)25-26-21(27)32-13-18(28)24-23-11-15-5-3-4-6-17(15)31-12-19(29)30/h3-11H,2,12-13H2,1H3,(H,24,28)(H,29,30)/b23-11-InChIKey
BCLHOOJNKFUUIQ-KSEXSDGBSA-NSynonyms
496773-29-6(2((2(5(4CHLOROPHENYL)4ETHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)HYDRAZONOMETHYL)PHENOXY)ACETICACID
(2((Z)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
2(2((Z)((2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
496773296
CCn1c(SCC(=O)NN=Cc2ccccc2OCC(=O)(O))(nH+)nc1c1ccc(cc1)Cl
InChI=1SC21H20ClN5O4Sc122720(147916(22)10814)252621(27)321318(28)24231115534617(15)311219(29)30h311H21213H21H3(H2428)(H2930)b2311
MFCD03298562
ZINC000013596324
ZINC1473945
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