Vitas-M small molecule compound
2-[(2,4,6-trinitrophenyl)sulfanyl]-1,3-benzothiazole
Catalog ID
STK523664
SMILES [O-][N+](=O)c1cc(cc(c1Sc1nc2c(s1)cccc2)[N+](=O)[O-])[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 C13H6N4O6S2 MW 378.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H6N4O6S2/c18-15(19)7-5-9(16(20)21)12(10(6-7)17(22)23)25-13-14-8-3-1-2-4-11(8)24-13/h1-6HInChIKey
ICWGHVHLUPQWTB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc(c1Sc1nc2c(s1)cccc2)(N+)(=O)(O))(N+)(=O)(O)
2((246trinitrophenyl)sulfanyl)13benzothiazole
2(246TRINITROPHENYL)SULFANYL13BENZOTHIAZOLE
2(246TRINITROPHENYLSULFANYL)BENZOTHIAZOLE
2BENZOTHIAZOL2YLTHIO135TRINITROBENZENE
C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H6N4O6S2c1815(19)759(16(20)21)12(10(67)17(22)23)2513148312411(8)2413h16H
MFCD00558958
ZINC000029747625
ZINC29747625
Check stock
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