Vitas-M small molecule compound
1-(octan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL494710
SMILES CCCCCCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccccc1)C
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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 C20H27N3O2S MW 373.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O2S/c1-3-4-5-7-10-14(2)23-19-17(20(25)22-23)18(26-13-16(24)21-19)15-11-8-6-9-12-15/h6,8-9,11-12,14,18H,3-5,7,10,13H2,1-2H3,(H,21,24)(H,22,25)InChIKey
NHESPHRLXRZYSN-UHFFFAOYSA-NSynonyms
713126-01-3(4R)1((2R)OCTAN2YL)4PHENYL48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(OCTAN2YL)4PHENYL46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1(octan2yl)4phenyl48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1OCTAN2YL4PHENYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
713126013
CCCCCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1
CCCCCCC(n1(nH)c(=O)c2c1NC(=O)CSC2c1ccccc1)C
InChI=1SC20H27N3O2Sc134571014(2)231917(20(25)2223)18(261316(24)2119)15118691215h68911121418H3571013H212H3(H2124)(H2225)
MFCD30716581
ZINC000005845563
ZINC000005845593
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