Vitas-M small molecule compound
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL362673
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C(=C/c1ccccc1)/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 C29H29N5O4S MW 543.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S/c1-20(15-21-11-7-5-8-12-21)18-30-31-26(35)19-39-29-33-32-28(34(29)23-13-9-6-10-14-23)22-16-24(36-2)27(38-4)25(17-22)37-3/h5-18H,19H2,1-4H3,(H,31,35)/b20-15+,30-18+InChIKey
LQLKAMWZQXQSNQ-NBOHISODSA-NSynonyms
315183-95-0(E)N((E)2methyl3phenylallylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
315183950
CC(=CC1=CC=CC=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)NN=CC(=Cc1ccccc1)C
InChI=1SC29H29N5O4Sc120(1521117581221)18303126(35)193929333228(34(29)231396101423)221624(362)27(384)25(1722)373h518H19H214H3(H3135)b2015+3018+
MFCD02075152
N((1E2E)2methyl3phenylprop2en1ylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)2((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000100614008
ZINC103442192
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