Vitas-M small molecule compound
7-hydroxy-1-(pentan-2-yl)-4-[4-(pentyloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK558773
SMILES CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CCC)C)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/c1-4-6-7-13-28-17-11-9-16(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)15(3)8-5-2/h9-12,15,20H,4-8,13-14H2,1-3H3,(H,23,26)(H,24,27)InChIKey
WPSBKVYQGQAQNI-UHFFFAOYSA-NSynonyms
573708-95-9(4S)1((2R)PENTAN2YL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1PENTAN2YL4(4PENTOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
573708959
7hydroxy1(pentan2yl)4(4(pentyloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CCC
CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(CCC)C)O
InChI=1SC22H31N3O3Sc146713281711916(101217)201921(2318(26)142920)25(2422(19)27)15(3)852h9121520H481314H213H3(H2326)(H2427)
MFCD04082320
ZINC000005932633
ZINC000006066500
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