Vitas-M small molecule compound

6-nitro-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-benzothiazole

Catalog ID
STK757975
SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1nc2c(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 C17H15N5O4S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4S/c23-21(24)13-3-1-12(2-4-13)19-7-9-20(10-8-19)17-18-15-6-5-14(22(25)26)11-16(15)27-17/h1-6,11H,7-10H2
InChIKey
MBMDBNBBDYCOIS-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)N1CCN(CC1)c1nc2c(s1)cc(cc2)(N+)(=O)(O)
6NITRO2(4(4NITROPHENYL)1PIPERAZINYL)13BENZOTHIAZOLE
6nitro2(4(4nitrophenyl)piperazin1yl)13benzothiazole
6NITRO2(4(4NITROPHENYL)PIPERAZINYL)BENZOTHIAZOLE
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC17H15N5O4Sc2321(24)133112(2413)197920(10819)1718156514(22(25)26)1116(15)2717h1611H710H2
MFCD01208796
ZINC000004181789
ZINC04181789
ZINC4181789

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Available files

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