Vitas-M small molecule compound

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

Catalog ID
STK463312
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc(cc1C(=O)N)Cc1ccccc1

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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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-28-17-8-7-13(10-16(17)23(26)27)19(25)22-20-15(18(21)24)11-14(29-20)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H2,21,24)(H,22,25)
InChIKey
AABHWYGZUPSSFO-UHFFFAOYSA-N
Synonyms

2((4METHOXY3NITROPHENYL)CARBONYLAMINO)5BENZYLTHIOPHENE3CARBOXAMIDE
5benzyl2(((4methoxy3nitrophenyl)carbonyl)amino)thiophene3carboxamide
5BENZYL2((4METHOXY3NITROBENZOYL)AMINO)THIOPHENE3CARBOXAMIDE
COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1sc(cc1C(=O)N)Cc1ccccc1
InChI=1SC20H17N3O5Sc128178713(1016(17)23(26)27)19(25)222015(18(21)24)1114(2920)9125324612h281011H9H21H3(H22124)(H2225)
MFCD06005047
ZINC000002872789
ZINC02872789
ZINC2872789

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Available files

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