Vitas-M small molecule compound
methyl 4-(dodecylsulfanyl)-3-nitrobenzoate
Catalog ID
STK370695
SMILES CCCCCCCCCCCCSc1ccc(cc1[N+](=O)[O-])C(=O)OC
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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 C20H31NO4S MW 381.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO4S/c1-3-4-5-6-7-8-9-10-11-12-15-26-19-14-13-17(20(22)25-2)16-18(19)21(23)24/h13-14,16H,3-12,15H2,1-2H3InChIKey
ANERJTMKGMFYBF-UHFFFAOYSA-NSynonyms
294668-61-4294668614
CCCCCCCCCCCCSC1=C(C=C(C=C1)C(=O)OC)(N+)(=O)(O)
CCCCCCCCCCCCSc1ccc(cc1(N+)(=O)(O))C(=O)OC
InChI=1SC20H31NO4Sc13456789101112152619141317(20(22)252)1618(19)21(23)24h131416H31215H212H3
methyl4(dodecylsulfanyl)3nitrobenzoate
METHYL4DODECYLSULFANYL3NITROBENZOATE
MFCD00365522
ZINC000096022808
ZINC96022808
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