Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
Catalog ID
STK064569
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C(=C/c1ccccc1)/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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-20(16-21-10-6-4-7-11-21)18-29-30-26(34)19-37-28-32-31-27(33(28)23-12-8-5-9-13-23)22-14-15-24(35-2)25(17-22)36-3/h4-18H,19H2,1-3H3,(H,30,34)/b20-16+,29-18+InChIKey
IFIFJJIRNOSKES-KEUSPHSMSA-NSynonyms
2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)N((E)((E)2methyl3phenylprop2enylidene)amino)acetamide
2((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E2E)2METHYL3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
CC(=CC1=CC=CC=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=CC(=Cc1ccccc1)C
InChI=1SC28H27N5O3Sc120(1621106471121)18293026(34)193728323127(33(28)23128591323)22141524(352)25(1722)363h418H19H213H3(H3034)b2016+2918+
MFCD01841611
N((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK064569
ZINC000004467585
ZINC96482411
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