Vitas-M small molecule compound

3-(azepan-1-ylmethyl)-6-(biphenyl-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL086156
SMILES C1CCCCN(C1)Cc1nnc2n1nc(s2)c1ccc(cc1)c1ccccc1

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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 C22H23N5S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5S/c1-2-7-15-26(14-6-1)16-20-23-24-22-27(20)25-21(28-22)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2
InChIKey
DBUOHJZIWWZIEP-UHFFFAOYSA-N
Synonyms
1246064-65-2
1246064652
3(1AZEPANYLMETHYL)6(11BIPHENYL)4YL(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(4phenylphenyl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(biphenyl4yl)(124)triazolo(34b)(134)thiadiazole
6((11biphenyl)4yl)3(azepan1ylmethyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI=1SC22H23N5Sc1271526(1461)162023242227(20)2521(2822)19121018(111319)178435917h35813H12671416H2
MFCD18068438
ZINC000049548237
ZINC49548237

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Available files

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