Vitas-M small molecule compound

3-[3-(azepan-1-yl)-2-hydroxypropyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate

Catalog ID
STL448381
SMILES OC(C[n+]1nn(c(c1C(=O)Nc1ccccc1)[O-])c1ccccc1)CN1CCCCCC1

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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 C24H29N5O3 MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O3/c30-21(17-27-15-9-1-2-10-16-27)18-28-22(23(31)25-19-11-5-3-6-12-19)24(32)29(26-28)20-13-7-4-8-14-20/h3-8,11-14,21,30H,1-2,9-10,15-18H2,(H-,25,26,31,32)
InChIKey
MYEKXWBHWLMSEX-UHFFFAOYSA-N
Synonyms

1(3(AZEPAN1YL)2HYDROXYPROPYL)3PHENYL5(PHENYLCARBAMOYL)TRIAZOL1IUM4OLATE
3(3(azepan1yl)2hydroxypropyl)1phenyl4(phenylcarbamoyl)1H123triazol3ium5olate
5(ANILINOCARBONYL)1(3(1AZEPANYL)2HYDROXYPROPYL)3PHENYL3H123TRIAZOL1IUM4OLATE
C1CCCN(CC1)CC(C(N+)2=NN(C(=C2C(=O)NC3=CC=CC=C3)(O))C4=CC=CC=C4)O
InChI=1SC24H29N5O3c3021(172715912101627)182822(23(31)2519115361219)24(32)29(2628)20137481420h3811142130H129101518H2(H25263132)
MFCD07773834
OC(C(n+)1nn(c(c1C(=O)Nc1ccccc1)(O))c1ccccc1)CN1CCCCCC1
ZINC000025182968
ZINC000025182977

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Available files

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