Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK091050
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C(C)(C)C)cc(c1OC(=O)C)OC
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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 C31H33N5O5S MW 587.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O5S/c1-20(37)41-28-25(39-5)16-21(17-26(28)40-6)18-32-33-27(38)19-42-30-35-34-29(36(30)24-10-8-7-9-11-24)22-12-14-23(15-13-22)31(2,3)4/h7-18H,19H2,1-6H3,(H,33,38)/b32-18+InChIKey
PUCJJCQKGGTFPP-KCSSXMTESA-NSynonyms
(4((E)((2((5(4tertbutylphenyl)4phenyl124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenyl)acetate
(E)4((2(2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)26dimethoxyphenylacetate
4((E)(2(((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)26DIMETHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C(C)(C)C)cc(c1OC(=O)C)OC
InChI=1SC31H33N5O5Sc120(37)412825(395)1621(1726(28)406)18323327(38)194230353429(36(30)24108791124)22121423(151322)31(23)4h718H19H216H3(H3338)b3218+
MFCD02641889
STK091050
ZINC000100612792
ZINC101493169
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.