Vitas-M small molecule compound

2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethanone

Catalog ID
STK154245
SMILES O=C(N1CCc2c1cccc2)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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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 C25H21N5O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O3S/c31-23(28-15-14-19-8-4-5-9-22(19)28)17-34-25-27-26-24(20-10-12-21(13-11-20)30(32)33)29(25)16-18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKey
YDTBSMPKEPKHKD-UHFFFAOYSA-N
Synonyms

2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1(23DIHYDROINDOL1YL)ETHANONE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(23DIHYDRO1HINDOL1YL)ETHANONE
C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H21N5O3Sc3123(28151419845922(19)28)173425272624(20101221(131120)30(32)33)29(25)16186213718h113H1417H2
MFCD03877044
O=C(N1CCc2c1cccc2)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001143558
ZINC01143558
ZINC1143558

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Available files

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