Vitas-M small molecule compound

N-(2,1,3-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide

Catalog ID
STK353730
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)Nc1cccc2c1nsn2

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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 C17H15N5O4S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4S/c23-17(18-12-2-1-3-13-16(12)20-27-19-13)11-4-5-14(15(10-11)22(24)25)21-6-8-26-9-7-21/h1-5,10H,6-9H2,(H,18,23)
InChIKey
XKTMNXWDQKEXGO-UHFFFAOYSA-N
Synonyms
C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=NSN=C43)(N+)(=O)(O)
N(213BENZOTHIADIAZOL4YL)4(MORPHOLIN4YL)3NITROBENZAMIDE
N(213BENZOTHIADIAZOL4YL)4MORPHOLIN4YL3NITROBENZAMIDE
NBENZO(C)125THIADIAZOL4YL(4MORPHOLIN4YL3NITROPHENYL)CARBOXAMIDE
O=C(c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)Nc1cccc2c1nsn2
Registry IDs
MFCD06016873
ZINC000004624180
ZINC04624180
ZINC4624180

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.