Vitas-M small molecule compound
1-(biphenyl-4-yl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK807130
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1c1cccs1
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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 C27H21N3O2S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O2S2/c1-32-23-15-13-22(14-16-23)30-26(25-8-5-17-33-25)28-29-27(30)34-18-24(31)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-17H,18H2,1H3InChIKey
NXHFOWPTCJAKLS-UHFFFAOYSA-NSynonyms
1(biphenyl4yl)2((4(4methoxyphenyl)5(thiophen2yl)4H124triazol3yl)sulfanyl)ethanone
2((4(4METHOXYPHENYL)5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2(4(4METHOXYPHENYL)5(2THIENYL)(124TRIAZOL3YLTHIO))1(4PHENYLPHENYL)ETHAN1ONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CS5
InChI=1SC27H21N3O2S2c13223151322(141623)3026(2585173325)282927(30)341824(31)2111920(101221)196324719h217H18H21H3
MFCD03621308
ZINC000002690521
ZINC02690521
ZINC2690521
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