Vitas-M small molecule compound
7-hydroxy-4-(4-methoxynaphthalen-1-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407815
SMILES COc1ccc(c2c1cccc2)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C22H23N3O3S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S2/c1-28-17-7-6-16(14-4-2-3-5-15(14)17)20-19-21(23-18(26)12-30-20)25(24-22(19)27)13-8-10-29-11-9-13/h2-7,13,20H,8-12H2,1H3,(H,23,26)(H,24,27)InChIKey
LQXUMRIVHHSJJX-UHFFFAOYSA-NSynonyms
1574324-85-81574324858
4(4methoxynaphthalen1yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4methoxynaphthalen1yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=C(C2=CC=CC=C21)C3C4=C(NC(=O)CS3)N(NC4=O)C5CCSCC5
COc1ccc(c2c1cccc2)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC22H23N3O3S2c128177616(14423515(14)17)201921(2318(26)123020)25(2422(19)27)138102911913h271320H812H21H3(H2326)(H2427)
MFCD30704919
ZINC000096116601
ZINC000096116602
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