Vitas-M small molecule compound
methyl 3-amino-6-nitro-4-(phenylsulfanyl)-1-benzothiophene-2-carboxylate
Catalog ID
STK766653
SMILES COC(=O)c1sc2c(c1N)c(Sc1ccccc1)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 C16H12N2O4S2 MW 360.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3InChIKey
JTEZJHUTNNVQGZ-UHFFFAOYSA-NSynonyms
3AMINO4(PHENYLTHIO)6NITROBENZO(B)THIOPHENE2CARBOXYLICACIDMETHYLESTER
3AMINO6NITRO4PHENYLSULFANYLBENZO(B)THIOPHENE2CARBOXYLICACIDMETHYLESTER
COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)(N+)(=O)(O))N
COC(=O)c1sc2c(c1N)c(Sc1ccccc1)cc(c2)(N+)(=O)(O)
InChI=1SC16H12N2O4S2c12216(19)1514(17)1311(23105324610)79(18(20)21)812(13)2415h28H17H21H3
methyl3amino6nitro4(phenylsulfanyl)1benzothiophene2carboxylate
METHYL3AMINO6NITRO4PHENYLSULFANYL1BENZOTHIOPHENE2CARBOXYLATE
METHYL3AMINO6NITRO4PHENYLTHIOBENZO(B)THIOPHENE2CARBOXYLATE
MFCD03017871
ZINC000001069593
ZINC01069593
ZINC1069593
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