Vitas-M small molecule compound

7-hydroxy-1-(pentan-3-yl)-4-[4-(pentyloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STK559060
SMILES CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)CC)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 C22H31N3O3S MW 417.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O3S/c1-4-7-8-13-28-17-11-9-15(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)16(5-2)6-3/h9-12,16,20H,4-8,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
STBABXPUZBGARC-UHFFFAOYSA-N
Synonyms
674819-05-7
(4R)1(PENTAN3YL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(1ETHYLPROPYL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1PENTAN3YL4(4PENTOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
674819057
7hydroxy1(pentan3yl)4(4(pentyloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(CC)CC
CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(CC)CC)O
InChI=1SC22H31N3O3Sc147813281711915(101217)201921(2318(26)142920)25(2422(19)27)16(52)63h9121620H481314H213H3(H2326)(H2427)
MFCD04079744
ZINC000005932632
ZINC000006066494

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Available files

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