Vitas-M small molecule compound
1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL491140
SMILES O=C1CSC(c2c(N1)n([nH]c2=O)C1CCCCCC1)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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c24-15-11-28-17(12-6-5-9-14(10-12)23(26)27)16-18(20-15)22(21-19(16)25)13-7-3-1-2-4-8-13/h5-6,9-10,13,17H,1-4,7-8,11H2,(H,20,24)(H,21,25)InChIKey
FYYRYQFAXPLEKI-UHFFFAOYSA-NSynonyms
714923-51-01CYCLOHEPTYL4(3NITROPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cycloheptyl4(3nitrophenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1CYCLOHEPTYL4(3NITROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714923510
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N2
InChI=1SC19H22N4O4Sc2415112817(1265914(1012)23(26)27)1618(2015)22(2119(16)25)1373124813h569101317H147811H2(H2024)(H2125)
MFCD30714326
O=C1CSC(c2c(N1)n((nH)c2=O)C1CCCCCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000009360036
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