Vitas-M small molecule compound
4-{(1E)-1-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Catalog ID
STK080046
SMILES COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc(cc1)OC(=O)C)\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 C28H27N5O5S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O5S/c1-18(20-10-13-23(14-11-20)38-19(2)34)29-30-26(35)17-39-28-32-31-27(33(28)22-8-6-5-7-9-22)21-12-15-24(36-3)25(16-21)37-4/h5-16H,17H2,1-4H3,(H,30,35)/b29-18+InChIKey
YAGVMYQRVLSDLI-RDRPBHBLSA-NSynonyms
315217-00-6(4((E)N((2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)acetyl)amino)Cmethylcarbonimidoyl)phenyl)acetate
(E)4(1(2(2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)ethyl)phenylacetate
315217006
4((1E)1(2(((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)ETHYL)PHENYLACETATE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC(=O)C
COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1ccc(cc1)OC(=O)C)C
InChI=1SC28H27N5O5Sc118(20101323(141120)3819(2)34)293026(35)173928323127(33(28)228657922)21121524(363)25(1621)374h516H17H214H3(H3035)b2918+
MFCD02076778
STK080046
ZINC000100611925
ZINC6013969
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Check stock on Vitas-MAvailable files
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