Vitas-M small molecule compound

methyl 4-(4-bromophenyl)-2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK435629
SMILES COC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)c1cc(ccc1Cl)[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 C19H12BrClN2O5S MW 495.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrClN2O5S/c1-28-19(25)16-14(10-2-4-11(20)5-3-10)9-29-18(16)22-17(24)13-8-12(23(26)27)6-7-15(13)21/h2-9H,1H3,(H,22,24)
InChIKey
LQVKMWFZNFCJPI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
COC(=O)c1c(scc1c1ccc(cc1)Br)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC19H12BrClN2O5Sc12819(25)1614(102411(20)5310)92918(16)2217(24)13812(23(26)27)6715(13)21h29H1H3(H2224)
methyl4(4bromophenyl)2(((2chloro5nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL4(4BROMOPHENYL)2((2CHLORO5NITROBENZOYL)AMINO)3THIOPHENECARBOXYLATE
METHYL4(4BROMOPHENYL)2((2CHLORO5NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(4BROMOPHENYL)2((2CHLORO5NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03393505
ZINC000002767355
ZINC02767355
ZINC2767355

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.