Vitas-M small molecule compound
4-(4-chlorophenyl)-1-cycloheptyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL047288
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)Cl)C1CCCCCC1
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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 C19H22ClN3O2S MW 391.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O2S/c20-13-9-7-12(8-10-13)17-16-18(21-15(24)11-26-17)23(22-19(16)25)14-5-3-1-2-4-6-14/h7-10,14,17H,1-6,11H2,(H,21,24)(H,22,25)InChIKey
XWWMJVBTZZJPPZ-UHFFFAOYSA-NSynonyms
674329-74-9(4S)4(4CHLOROPHENYL)1CYCLOHEPTYL48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4CHLOROPHENYL)1CYCLOHEPTYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4chlorophenyl)1cycloheptyl7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
674329749
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N2
InChI=1SC19H22ClN3O2Sc20139712(81013)171618(2115(24)112617)23(2219(16)25)1453124614h7101417H1611H2(H2124)(H2225)
MFCD04081995
OC1=Nc2n((nH)c(=O)c2C(SC1)c1ccc(cc1)Cl)C1CCCCCC1
ZINC000005763592
ZINC000005763613
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