Vitas-M small molecule compound

2-(morpholin-4-yl)-5-nitro-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide

Catalog ID
STK347308
SMILES S=C(NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])Nc1ccc2c(c1)nn(n2)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 C24H21N7O4S MW 503.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N7O4S/c32-23(19-15-18(31(33)34)7-9-22(19)29-10-12-35-13-11-29)26-24(36)25-16-6-8-20-21(14-16)28-30(27-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,25,26,32,36)
InChIKey
FAVQXLOGULXTFN-UHFFFAOYSA-N
Synonyms

2(morpholin4yl)5nitroN((2phenyl2Hbenzotriazol5yl)carbamothioyl)benzamide
2MORPHOLIN4YL5NITRON((2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
C1COCCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5
InChI=1SC24H21N7O4Sc3223(191518(31(33)34)7922(19)29101235131129)2624(36)2516682021(1416)2830(2720)174213517h191415H1013H2(H225263236)
MFCD06631992
S=C(NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))Nc1ccc2c(c1)nn(n2)c1ccccc1
ZINC000012860721
ZINC12860721

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Available files

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