Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
Catalog ID
STK791401
SMILES COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)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 C30H31N5O2S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O2S/c1-30(2,3)24-18-16-23(17-19-24)28-33-34-29(35(28)25-13-6-5-7-14-25)38-21-27(36)32-31-20-10-12-22-11-8-9-15-26(22)37-4/h5-20H,21H2,1-4H3,(H,32,36)/b12-10+,31-20+InChIKey
LBOKLYVDFCOIKJ-UZALXDJGSA-NSynonyms
329910-33-0(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)N((1E2E)3(2methoxyphenyl)prop2en1ylidene)acetohydrazide
329910330
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC=CC4=CC=CC=C4OC
COc1ccccc1C=CC=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC30H31N5O2Sc130(23)24181623(171924)28333429(35(28)25136571425)382127(36)32312010122211891526(22)374h520H21H214H3(H3236)b1210+3120+
MFCD02641919
ZINC000001777638
ZINC96401709
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