Vitas-M small molecule compound
methyl 2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}-5-phenylthiophene-3-carboxylate
Catalog ID
STK452911
SMILES COC(=O)c1cc(sc1NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1ccccc1
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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 C20H15N3O7S MW 441.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O7S/c1-11-15(22(26)27)8-13(9-16(11)23(28)29)18(24)21-19-14(20(25)30-2)10-17(31-19)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,24)InChIKey
NHRNHARLCNCTSJ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1cc(sc1NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)c1ccccc1
InChI=1SC20H15N3O7Sc11115(22(26)27)813(916(11)23(28)29)18(24)211914(20(25)302)1017(3119)126435712h310H12H3(H2124)
methyl2(((4methyl35dinitrophenyl)carbonyl)amino)5phenylthiophene3carboxylate
METHYL2((35BISNITRO4METHYLBENZOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((4METHYL35DINITROBENZOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((4METHYL35DINITROPHENYL)CARBONYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD02373024
ZINC000002101703
ZINC02101703
ZINC2101703
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