Vitas-M small molecule compound

5-benzyl-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxamide

Catalog ID
STK463315
SMILES O=C(Nc1sc(cc1C(=O)N)Cc1ccccc1)Cc1ccc(cc1)[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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c21-19(25)17-12-16(10-13-4-2-1-3-5-13)28-20(17)22-18(24)11-14-6-8-15(9-7-14)23(26)27/h1-9,12H,10-11H2,(H2,21,25)(H,22,24)
InChIKey
YGDYVKPFQMRWHS-UHFFFAOYSA-N
Synonyms

2(2(4NITROPHENYL)ACETYLAMINO)5BENZYLTHIOPHENE3CARBOXAMIDE
5benzyl2(((4nitrophenyl)acetyl)amino)thiophene3carboxamide
5BENZYL2((2(4NITROPHENYL)ACETYL)AMINO)THIOPHENE3CARBOXAMIDE
C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)CC3=CC=C(C=C3)(N+)(=O)(O))C(=O)N
InChI=1SC20H17N3O4Sc2119(25)171216(10134213513)2820(17)2218(24)11146815(9714)23(26)27h1912H1011H2(H22125)(H2224)
MFCD06004889
O=C(Nc1sc(cc1C(=O)N)Cc1ccccc1)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000001055402
ZINC01055402
ZINC1055402

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Available files

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