Vitas-M small molecule compound
2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxy-6-nitrophenol
Catalog ID
STK535491
SMILES COc1cc(C2SCc3c(CS2)cc(c(c3)C)C)c(c(c1)[N+](=O)[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 C18H19NO4S2 MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4S2/c1-10-4-12-8-24-18(25-9-13(12)5-11(10)2)15-6-14(23-3)7-16(17(15)20)19(21)22/h4-7,18,20H,8-9H2,1-3H3InChIKey
LMCOPKYIRSNDRM-UHFFFAOYSA-NSynonyms
326871-71-02(78dimethyl15dihydro24benzodithiepin3yl)4methoxy6nitrophenol
2(78dimethyl15dihydrobenzo(e)(13)dithiepin3yl)4methoxy6nitrophenol
326871710
CC1=C(C=C2CSC(SCC2=C1)C3=CC(=CC(=C3O)(N+)(=O)(O))OC)C
COc1cc(C2SCc3c(CS2)cc(c(c3)C)C)c(c(c1)(N+)(=O)(O))O
InChI=1SC18H19NO4S2c11041282418(25913(12)511(10)2)15614(233)716(17(15)20)19(21)22h471820H89H213H3
MFCD01828880
ZINC000036058081
ZINC36058081
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Check stock on Vitas-MAvailable files
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