Vitas-M small molecule compound
methyl 3-amino-4-[(2-methylpropyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK767025
SMILES COC(=O)c1sc2c(c1N)c(SCC(C)C)cc(c2)[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 C14H16N2O4S2 MW 340.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3InChIKey
POZSDOMOSSHYLS-UHFFFAOYSA-NSynonyms
3AMINO4(ISOBUTYLTHIO)6NITROBENZO(B)THIOPHENE2CARBOXYLICACIDMETHYLESTER
3AMINO4ISOBUTYLSULFANYL6NITROBENZO(B)THIOPHENE2CARBOXYLICACIDMETHYLESTER
CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N)(N+)(=O)(O)
COC(=O)c1sc2c(c1N)c(SCC(C)C)cc(c2)(N+)(=O)(O)
InChI=1SC14H16N2O4S2c17(2)621948(16(18)19)51011(9)12(15)13(2210)14(17)203h457H615H213H3
methyl3amino4((2methylpropyl)sulfanyl)6nitro1benzothiophene2carboxylate
METHYL3AMINO4(2METHYLPROPYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
METHYL3AMINO4(2METHYLPROPYLTHIO)6NITROBENZO(B)THIOPHENE2CARBOXYLATE
METHYL3AMINO4(ISOBUTYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
METHYL3AMINO4(ISOBUTYLTHIO)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03036544
ZINC000000036892
ZINC00036892
ZINC36892
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