Vitas-M small molecule compound

8-(furan-2-yl)-3,3-dimethyl-6-{4-[(4-nitrophenyl)carbonyl]piperazin-1-yl}-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile

Catalog ID
STK524643
SMILES N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)c1ccc(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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-26(2)14-19-20(15-27)24(28-23(21(19)16-36-26)22-4-3-13-35-22)29-9-11-30(12-10-29)25(32)17-5-7-18(8-6-17)31(33)34/h3-8,13H,9-12,14,16H2,1-2H3
InChIKey
IJNCZSMGKYPFKC-UHFFFAOYSA-N
Synonyms
372087-18-8
372087188
8(furan2yl)33dimethyl6(4((4nitrophenyl)carbonyl)piperazin1yl)34dihydro1Hthiopyrano(34c)pyridine5carbonitrile
8(FURAN2YL)33DIMETHYL6(4(4NITROBENZOYL)PIPERAZIN1YL)14DIHYDROTHIOPYRANO(34C)PYRIDINE5CARBONITRILE
8(furan2yl)33dimethyl6(4(4nitrobenzoyl)piperazin1yl)34dihydro1Hthiopyrano(34c)pyridine5carbonitrile
8FURAN2YL33DIMETHYL6(4((4NITROPHENYL)CARBONYL)PIPERAZIN1YL)34DIHYDRO1HTHIOPYRANO(34C)PYRIDINE5CARBONITRILE
CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C#N)C
InChI=1SC26H25N5O4Sc126(2)141920(1527)24(2823(21(19)163626)2243133522)2991130(121029)25(32)175718(8617)31(33)34h3813H9121416H212H3
MFCD01876738
N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000020840422
ZINC20840422

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Available files

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