Vitas-M small molecule compound
N'-[(1E)-1-(naphthalen-2-yl)ethylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL071064
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc2c(c1)cccc2)\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 C31H29N5O4S MW 567.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O4S/c1-20(22-15-14-21-10-8-9-11-23(21)16-22)32-33-28(37)19-41-31-35-34-30(36(31)25-12-6-5-7-13-25)24-17-26(38-2)29(40-4)27(18-24)39-3/h5-18H,19H2,1-4H3,(H,33,37)/b32-20+InChIKey
OGWBUKGGVCXVJH-UZWMFBFFSA-NSynonyms
(E)N(1(naphthalen2yl)ethylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC5=CC=CC=C5C=C4
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1ccc2c(c1)cccc2)C
InChI=1SC31H29N5O4Sc120(2215142110891123(21)1622)323328(37)194131353430(36(31)25126571325)241726(382)29(404)27(1824)393h518H19H214H3(H3337)b3220+
MFCD02075174
N((1E)1(naphthalen2yl)ethylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)1naphthalen2ylethylideneamino)2((4phenyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000100614095
ZINC102965057
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