Vitas-M small molecule compound

N-(2-methoxydibenzo[b,d]furan-3-yl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK592603
SMILES COc1cc2c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1)oc1c2cccc1

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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 C28H22N6O3S MW 522.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O3S/c1-17-7-9-18(10-8-17)34-27(22-15-29-11-12-30-22)32-33-28(34)38-16-26(35)31-21-14-24-20(13-25(21)36-2)19-5-3-4-6-23(19)37-24/h3-15H,16H2,1-2H3,(H,31,35)
InChIKey
ABGDAJLQGDXTKM-UHFFFAOYSA-N
Synonyms
896075-55-1
896075551
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C6=NC=CN=C6
InChI=1SC28H22N6O3Sc1177918(10817)3427(22152911123022)323328(34)381626(35)3121142420(1325(21)362)19534623(19)3724h315H16H212H3(H3135)
MFCD06592543
N(2METHOXYBENZO(34B)BENZO(D)FURAN3YL)2(4(4METHYLPHENYL)5PYRAZIN2YL(124TRIAZOL3YLTHIO))ACETAMIDE
N(2methoxydibenzo(bd)furan3yl)2((4(4methylphenyl)5(pyrazin2yl)4H124triazol3yl)sulfanyl)acetamide
N(2methoxydibenzo(bd)furan3yl)2((5(pyrazin2yl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(2METHOXYDIBENZOFURAN3YL)2((4(4METHYLPHENYL)5PYRAZIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002438598
ZINC2438598

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Available files

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