Vitas-M small molecule compound
1-cycloheptyl-7-hydroxy-4-[4-(pentyloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK562996
SMILES CCCCCOc1ccc(cc1)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 C24H33N3O3S MW 443.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O3S/c1-2-3-8-15-30-19-13-11-17(12-14-19)22-21-23(25-20(28)16-31-22)27(26-24(21)29)18-9-6-4-5-7-10-18/h11-14,18,22H,2-10,15-16H2,1H3,(H,25,28)(H,26,29)InChIKey
IMYGHLTWMWCXQE-UHFFFAOYSA-NSynonyms
676157-21-41CYCLOHEPTYL4(4PENTOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl7hydroxy4(4(pentyloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
676157214
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC24H33N3O3Sc1238153019131117(121419)222123(2520(28)163122)27(2624(21)29)18964571018h11141822H2101516H21H3(H2528)(H2629)
MFCD04080105
ZINC000002397099
ZINC000002397100
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