Vitas-M small molecule compound
1-cycloheptyl-7-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK561152
SMILES C=CCOc1ccc(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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-2-13-28-17-11-9-15(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)16-7-5-3-4-6-8-16/h2,9-12,16,20H,1,3-8,13-14H2,(H,23,26)(H,24,27)InChIKey
CMHBZGOQRKGLKY-UHFFFAOYSA-NSynonyms
573941-45-4(4R)1CYCLOHEPTYL4(4(PROP2EN1YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(4(PROP2EN1YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(4PROP2ENOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl7hydroxy4(4(prop2en1yloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
573941454
C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
C=CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC22H27N3O3Sc1213281711915(101217)201921(2318(26)142920)25(2422(19)27)1675346816h29121620H1381314H2(H2326)(H2427)
MFCD04073397
ZINC000005830905
ZINC000005830910
Check stock
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Check stock on Vitas-MAvailable files
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