Vitas-M small molecule compound

N-methyl-2,4,6-trinitro-N-{2-[(2,4,6-trinitrophenyl)sulfanyl]ethyl}aniline

Catalog ID
STK009110
SMILES CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])CCSc1c(cc(cc1[N+](=O)[O-])[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 C15H11N7O12S MW 513.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N7O12S/c1-16(14-10(19(27)28)4-8(17(23)24)5-11(14)20(29)30)2-3-35-15-12(21(31)32)6-9(18(25)26)7-13(15)22(33)34/h4-7H,2-3H2,1H3
InChIKey
GFVKLFJGKBTBCW-UHFFFAOYSA-N
Synonyms

CN(c1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))CCSc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
CN(CCSC1=C(C=C(C=C1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))C2=C(C=C(C=C2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H11N7O12Sc116(1410(19(27)28)48(17(23)24)511(14)20(29)30)23351512(21(31)32)69(18(25)26)713(15)22(33)34h47H23H21H3
MFCD00319348
NMETHYL246TRINITRON(2((246TRINITROPHENYL)SULFANYL)ETHYL)ANILINE
NMETHYL246TRINITRON(2(246TRINITROPHENYL)SULFANYLETHYL)ANILINE
STK009110
ZINC000101385166
ZINC101385166

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Available files

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