Vitas-M small molecule compound
methyl 3-(acetylamino)-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK956424
SMILES COC(=O)c1sc2c(c1NC(=O)C)c(Sc1ccc(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 C18H13ClN2O5S2 MW 436.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O5S2/c1-9(22)20-16-15-13(27-12-5-3-10(19)4-6-12)7-11(21(24)25)8-14(15)28-17(16)18(23)26-2/h3-8H,1-2H3,(H,20,22)InChIKey
JRJYQLNHAIRBAY-UHFFFAOYSA-NSynonyms
438229-92-6438229926
CC(=O)NC1=C(SC2=C1C(=CC(=C2)(N+)(=O)(O))SC3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)c1sc2c(c1NC(=O)C)c(Sc1ccc(cc1)Cl)cc(c2)(N+)(=O)(O)
InChI=1SC18H13ClN2O5S2c19(22)20161513(27125310(19)4612)711(21(24)25)814(15)2817(16)18(23)262h38H12H3(H2022)
methyl3(acetylamino)4((4chlorophenyl)sulfanyl)6nitro1benzothiophene2carboxylate
METHYL3ACETAMIDO4(4CHLOROPHENYL)SULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03466935
ZINC000002113293
ZINC02113293
ZINC2113293
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