Vitas-M small molecule compound

3-(4-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonyl}phenyl)-2H-chromen-2-one

Catalog ID
STK355634
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(cc1)c1cc2ccccc2oc1=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 C26H20ClN3O5 MW 489.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O5/c27-20-9-10-22(23(16-20)30(33)34)28-11-13-29(14-12-28)25(31)18-7-5-17(6-8-18)21-15-19-3-1-2-4-24(19)35-26(21)32/h1-10,15-16H,11-14H2
InChIKey
JSIUIRIMMQFPTA-UHFFFAOYSA-N
Synonyms
845669-92-3
3(4((4(4chloro2nitrophenyl)piperazin1yl)carbonyl)phenyl)2Hchromen2one
3(4(4(4chloro2nitrophenyl)piperazine1carbonyl)phenyl)2Hchromen2one
3(4(4(4CHLORO2NITROPHENYL)PIPERAZINE1CARBONYL)PHENYL)CHROMEN2ONE
845669923
C1CN(CCN1C2=C(C=C(C=C2)Cl)(N+)(=O)(O))C(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc(cc1)c1cc2ccccc2oc1=O
InChI=1SC26H20ClN3O5c272091022(23(1620)30(33)34)28111329(141228)25(31)187517(6818)211519312424(19)3526(21)32h1101516H1114H2
MFCD04169511
ZINC000008684640
ZINC08684640
ZINC8684640

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Available files

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