Vitas-M small molecule compound

N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STL412468
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2cc(OC)c(c(c2)OC)OC)ccc1OCc1ccccc1

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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 C34H33N5O6S MW 639.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O6S/c1-41-28-17-24(15-16-27(28)45-21-23-11-7-5-8-12-23)20-35-36-31(40)22-46-34-38-37-33(39(34)26-13-9-6-10-14-26)25-18-29(42-2)32(44-4)30(19-25)43-3/h5-20H,21-22H2,1-4H3,(H,36,40)/b35-20+
InChIKey
IXLKVLFWLVTVNN-JEPNHJGPSA-N
Synonyms

(E)N(4(benzyloxy)3methoxybenzylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2cc(OC)c(c(c2)OC)OC)ccc1OCc1ccccc1
InChI=1SC34H33N5O6Sc141281724(151627(28)452123117581223)20353631(40)224634383733(39(34)261396101426)251829(422)32(444)30(1925)433h520H2122H214H3(H3640)b3520+
MFCD01904918
N((1E)2(3METHOXY4(PHENYLMETHOXY)PHENYL)1AZAVINYL)2(4PHENYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(3methoxy4phenylmethoxyphenyl)methylideneamino)2((4phenyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetamide
N((E)(4(benzyloxy)3methoxyphenyl)methylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
ZINC000150431573
ZINC150570769

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Available files

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