Vitas-M small molecule compound

3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK897027
SMILES O=C1C(=C(C(N1Cc1cccnc1)c1cccc(c1)[N+](=O)[O-])C(=O)c1cccs1)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 C21H15N3O5S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5S/c25-19(16-7-3-9-30-16)17-18(14-5-1-6-15(10-14)24(28)29)23(21(27)20(17)26)12-13-4-2-8-22-11-13/h1-11,18,26H,12H2
InChIKey
RIHAHKQKKFQYJM-UHFFFAOYSA-N
Synonyms
380592-40-5
2(3NITROPHENYL)5OXO1(PYRIDIN1IUM3YLMETHYL)3(THIOPHENE2CARBONYL)2HPYRROL4OLATE
380592405
3hydroxy5(3nitrophenyl)1(pyridin3ylmethyl)4(thiophen2ylcarbonyl)15dihydro2Hpyrrol2one
3hydroxy5(3nitrophenyl)1(pyridin3ylmethyl)4(thiophene2carbonyl)1Hpyrrol2(5H)one
4HYDROXY2(3NITROPHENYL)1(PYRIDIN3YLMETHYL)3(THIOPHENE2CARBONYL)2HPYRROL5ONE
5(3NITROPHENYL)2OXO1(PYRIDINIUM3YLMETHYL)4(THIOPHEN2YLCARBONYL)25DIHYDRO1HPYRROL3OLATE
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(=C(C(=O)N2CC3=C(NH+)=CC=C3)(O))C(=O)C4=CC=CS4
InChI=1SC21H15N3O5Sc2519(167393016)1718(1451615(1014)24(28)29)23(21(27)20(17)26)1213428221113h1111826H12H2
MFCD02990488
O=C1C(=C(C(N1Cc1cccnc1)c1cccc(c1)(N+)(=O)(O))C(=O)c1cccs1)O
ZINC000009046416
ZINC000009046417

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Available files

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