Vitas-M small molecule compound

1-(morpholin-4-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Catalog ID
STK506898
SMILES O=C(N1CCOCC1)CSc1nc2c([nH]1)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 C13H14N4O4S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4S/c18-12(16-3-5-21-6-4-16)8-22-13-14-10-2-1-9(17(19)20)7-11(10)15-13/h1-2,7H,3-6,8H2,(H,14,15)
InChIKey
UTTUNQCQPNTSPM-UHFFFAOYSA-N
Synonyms

1(morpholin4yl)2((6nitro1Hbenzimidazol2yl)sulfanyl)ethanone
1MORPHOLIN4YL2((6NITRO1HBENZIMIDAZOL2YL)SULFANYL)ETHANONE
1MORPHOLIN4YL2(6NITROBENZIMIDAZOL2YLTHIO)ETHAN1ONE
C1COCCN1C(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC13H14N4O4Sc1812(1635216416)822131410219(17(19)20)711(10)1513h127H368H2(H1415)
MFCD01648794
O=C(N1CCOCC1)CSc1nc2c((nH)1)cc(cc2)(N+)(=O)(O)
ZINC000005614445
ZINC05614445
ZINC5614445

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Available files

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