Vitas-M small molecule compound
1-cycloheptyl-7-hydroxy-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK561954
SMILES CCCOc1ccc(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 C22H29N3O3S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S/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/h9-12,16,20H,2-8,13-14H2,1H3,(H,23,26)(H,24,27)InChIKey
DGXLLTLYNMJHOP-UHFFFAOYSA-NSynonyms
573972-17-5(4R)1CYCLOHEPTYL4(4PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(4PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl7hydroxy4(4propoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
573972175
CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC22H29N3O3Sc1213281711915(101217)201921(2318(26)142920)25(2422(19)27)1675346816h9121620H281314H21H3(H2326)(H2427)
MFCD04080610
ZINC000006073275
ZINC000006073298
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