Vitas-M small molecule compound

N'-[(1E,2E)-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
STK026999
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C=C/c1ccccc1

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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 C28H27N5O4S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S/c1-35-23-17-21(18-24(36-2)26(23)37-3)27-31-32-28(33(27)22-14-8-5-9-15-22)38-19-25(34)30-29-16-10-13-20-11-6-4-7-12-20/h4-18H,19H2,1-3H3,(H,30,34)/b13-10+,29-16+
InChIKey
FQHXOHFAYDIZFG-WPRBOHTRSA-N
Synonyms
315184-07-7
(E)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)N((E)3phenylallylidene)acetohydrazide
315184077
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC=CC4=CC=CC=C4
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)NN=CC=Cc1ccccc1
InChI=1SC28H27N5O4Sc135231721(1824(362)26(23)373)27313228(33(27)22148591522)381925(34)302916101320116471220h418H19H213H3(H3034)b1310+2916+
MFCD01447627
N((1E2E)3PHENYLPROP2EN1YLIDENE)2((4PHENYL5(345TRIMETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((1E3E)4PHENYL1AZABUTA13DIENYL)2(4PHENYL5(345TRIMETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)2((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
STK026999
ZINC000002318283
ZINC58993815

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Available files

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