Vitas-M small molecule compound

1-cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Catalog ID
STK770644
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCCCC1)c1cccc(c1)[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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c23-14-10-27-16(11-5-4-8-13(9-11)22(25)26)15-17(19-14)21(20-18(15)24)12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10H2,(H,19,23)(H,20,24)
InChIKey
HICMTOVVJSFNBN-UHFFFAOYSA-N
Synonyms
681854-17-1
(4S)1CYCLOHEXYL4(3NITROPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1cyclohexyl3hydroxy4(3nitrophenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1cyclohexyl3hydroxy4(3nitrophenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1CYCLOHEXYL4(3NITROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
681854171
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N2
InChI=1SC18H20N4O4Sc2314102716(1154813(911)22(25)26)1517(1914)21(2018(15)24)126213712h45891216H136710H2(H1923)(H2024)
MFCD03666687
O=C1CSC(c2c(N1)n(nc2O)C1CCCCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000005632956
ZINC000005632960

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Available files

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