Vitas-M small molecule compound
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
Catalog ID
STL302703
SMILES [O-][N+](=O)c1cc(cc(c1Sc1nc2c(s1)cccc2)[N+](=O)[O-])C(F)(F)F
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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 C14H6F3N3O4S2 MW 401.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H6F3N3O4S2/c15-14(16,17)7-5-9(19(21)22)12(10(6-7)20(23)24)26-13-18-8-3-1-2-4-11(8)25-13/h1-6HInChIKey
ZBHAGVZZNBNLPB-UHFFFAOYSA-NSynonyms
131182-94-0(O)(N+)(=O)c1cc(cc(c1Sc1nc2c(s1)cccc2)(N+)(=O)(O))C(F)(F)F
131182940
2((26dinitro4(trifluoromethyl)phenyl)sulfanyl)13benzothiazole
2((26dinitro4(trifluoromethyl)phenyl)thio)benzo(d)thiazole
2(26DINITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL13BENZOTHIAZOLE
2BENZOTHIAZOL2YLTHIO13DINITRO5(TRIFLUOROMETHYL)BENZENE
C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC14H6F3N3O4S2c1514(1617)759(19(21)22)12(10(67)20(23)24)2613188312411(8)2513h16H
MFCD00755461
ZINC000002271762
ZINC02271762
ZINC2271762
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