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Vitas-M small molecule compound

1-(morpholin-4-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Catalog ID
STK724254
SMILES O=C(N1CCOCC1)CSc1nc2c(s1)cc(cc2)[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 C13H13N3O4S2 MW 339.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S2/c17-12(15-3-5-20-6-4-15)8-21-13-14-10-2-1-9(16(18)19)7-11(10)22-13/h1-2,7H,3-6,8H2
InChIKey
ILDOPLATXMGJFH-UHFFFAOYSA-N
Synonyms

1(morpholin4yl)2((6nitro13benzothiazol2yl)sulfanyl)ethanone
1MORPHOLIN4YL2((6NITRO13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC13H13N3O4S2c1712(1535206415)821131410219(16(18)19)711(10)2213h127H368H2
MFCD00486367
O=C(N1CCOCC1)CSc1nc2c(s1)cc(cc2)(N+)(=O)(O)
ZINC000000060555
ZINC00060555
ZINC60555

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Available files

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

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