Vitas-M small molecule compound
methyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK767024
SMILES COC(=O)c1sc2c(c1N)c(SCc1ccc(cc1)Cl)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 C17H13ClN2O4S2 MW 408.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3InChIKey
JCPWTUMNHIKBPD-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=C(C=C3)Cl)(N+)(=O)(O))N
COC(=O)c1sc2c(c1N)c(SCc1ccc(cc1)Cl)cc(c2)(N+)(=O)(O)
InChI=1SC17H13ClN2O4S2c12417(21)1615(19)1412(611(20(22)23)713(14)2616)25892410(18)539h27H819H21H3
methyl3amino4((4chlorobenzyl)sulfanyl)6nitro1benzothiophene2carboxylate
METHYL3AMINO4((4CHLOROPHENYL)METHYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
METHYL3AMINO4((4CHLOROPHENYL)METHYLTHIO)6NITROBENZO(B)THIOPHENE2CARBOXYLATE
MFCD03036543
ZINC000001089554
ZINC01089554
ZINC1089554
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