Vitas-M small molecule compound
methyl [2-(benzylsulfanyl)-4,6-dinitrophenyl]carbamate
Catalog ID
STK759767
SMILES COC(=O)Nc1c(SCc2ccccc2)cc(cc1[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 C15H13N3O6S MW 363.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O6S/c1-24-15(19)16-14-12(18(22)23)7-11(17(20)21)8-13(14)25-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)InChIKey
AKVPVOVFIWPGKL-UHFFFAOYSA-NSynonyms
COC(=O)NC1=C(C=C(C=C1SCC2=CC=CC=C2)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)Nc1c(SCc2ccccc2)cc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H13N3O6Sc12415(19)161412(18(22)23)711(17(20)21)813(14)259105324610h28H9H21H3(H1619)
METHYL(2(BENZYLSULFANYL)46DINITROPHENYL)CARBAMATE
METHYLN(2BENZYLSULFANYL46DINITROPHENYL)CARBAMATE
MFCD01572704
ZINC000004523940
ZINC04523940
ZINC4523940
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