Vitas-M small molecule compound

1-cyclopentyl-7-hydroxy-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL149895
SMILES CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-2-11-26-15-9-7-13(8-10-15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)14-5-3-4-6-14/h7-10,14,18H,2-6,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKey
XIMOYJPIEGDZEF-UHFFFAOYSA-N
Synonyms
573930-65-1
(4S)1CYCLOPENTYL4(4PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOPENTYL4(4PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cyclopentyl7hydroxy4(4propoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
573930651
CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC20H25N3O3Sc121126159713(81015)181719(2116(24)122718)23(2220(17)25)14534614h7101418H261112H21H3(H2124)(H2225)
MFCD04077274
ZINC000006073273
ZINC000006073296

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Available files

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