Vitas-M small molecule compound

1-(pentan-3-yl)-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

Catalog ID
STL491860
SMILES CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(CC)CC

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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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-4-11-26-15-10-8-7-9-14(15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)13(5-2)6-3/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKey
FHWNJEXKULOXKI-UHFFFAOYSA-N
Synonyms
714949-60-7
(4S)1(PENTAN3YL)4(2PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(PENTAN3YL)4(2PROPOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1(pentan3yl)4(2propoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1PENTAN3YL4(2PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C(CC)CC
CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C(CC)CC
InChI=1SC20H27N3O3Sc141126151087914(15)181719(2116(24)122718)23(2220(17)25)13(52)63h7101318H461112H213H3(H2124)(H2225)
MFCD30714773
ZINC000005965510
ZINC000005965519

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Available files

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