Vitas-M small molecule compound
1-cycloheptyl-4-(2,4-dichlorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK559822
SMILES Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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 C19H21Cl2N3O2S MW 426.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21Cl2N3O2S/c20-11-7-8-13(14(21)9-11)17-16-18(22-15(25)10-27-17)24(23-19(16)26)12-5-3-1-2-4-6-12/h7-9,12,17H,1-6,10H2,(H,22,25)(H,23,26)InChIKey
REBKHNLELVQJEE-UHFFFAOYSA-NSynonyms
578747-09-81CYCLOHEPTYL4(24DICHLOROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl4(24dichlorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
578747098
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=C(C=C(C=C4)Cl)Cl)C(=O)N2
Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC19H21Cl2N3O2Sc20117813(14(21)911)171618(2215(25)102717)24(2319(16)26)1253124612h791217H1610H2(H2225)(H2326)
MFCD04076078
ZINC000013748942
ZINC000013748944
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