Vitas-M small molecule compound

2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol

Catalog ID
STK761489
SMILES [O-][N+](=O)c1cccc(c1O)C1SCc2c(CS1)cc(c(c2)C)C

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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 C17H17NO3S2 MW 347.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO3S2/c1-10-6-12-8-22-17(23-9-13(12)7-11(10)2)14-4-3-5-15(16(14)19)18(20)21/h3-7,17,19H,8-9H2,1-2H3
InChIKey
IYKNAMAXZLQEBE-UHFFFAOYSA-N
Synonyms
309286-71-3
(O)(N+)(=O)c1cccc(c1O)C1SCc2c(CS1)cc(c(c2)C)C
2(78dimethyl15dihydro24benzodithiepin3yl)6nitrophenol
2(78DIMETHYL15DIHYDROBENZO(E)(13)DITHIEPIN3YL)6NITROPHENOL
309286713
CC1=C(C=C2CSC(SCC2=C1)C3=C(C(=CC=C3)(N+)(=O)(O))O)C
InChI=1SC17H17NO3S2c11061282217(23913(12)711(10)2)1443515(16(14)19)18(20)21h371719H89H212H3
MFCD01828811
PHENOL2(15DIHYDRO78DIMETHYL24BENZODITHIEPIN3YL)6NITRO
ZINC000036107990
ZINC36107990

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Available files

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