Vitas-M small molecule compound

2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK007146
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C=C/c1ccccc1OC

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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/c1-35-23-14-8-7-10-20(23)11-9-17-29-30-26(34)19-38-28-32-31-27(33(28)22-12-5-4-6-13-22)21-15-16-24(36-2)25(18-21)37-3/h4-18H,19H2,1-3H3,(H,30,34)/b11-9+,29-17+
InChIKey
CRPWFNWTGKBZKM-OXQZUZNTSA-N
Synonyms
306757-28-8
(E)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
306757288
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC=CC4=CC=CC=C4OC)OC
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=CC=Cc1ccccc1OC
InChI=1SC28H27N5O4Sc1352314871020(23)11917293026(34)193828323127(33(28)22125461322)21151624(362)25(1821)373h418H19H213H3(H3034)b119+2917+
MFCD01841621
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK007146
ZINC000002340300
ZINC101381250

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Available files

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