Vitas-M small molecule compound

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

Catalog ID
STL492221
SMILES CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1

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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/c1-2-13-28-17-12-8-7-11-16(17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)15-9-5-3-4-6-10-15/h7-8,11-12,15,20H,2-6,9-10,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
MYBRRXSNOPGAPS-UHFFFAOYSA-N
Synonyms
714246-60-3
1CYCLOHEPTYL4(2PROPOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cycloheptyl4(2propoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1CYCLOHEPTYL4(2PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714246603
CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C1CCCCCC1
InChI=1SC22H29N3O3Sc1213281712871116(17)201921(2318(26)142920)25(2422(19)27)15953461015h7811121520H269101314H21H3(H2326)(H2427)
MFCD30714997
ZINC000005965511
ZINC000005965521

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Available files

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