Vitas-M small molecule compound

1-cycloheptyl-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL148887
SMILES COc1cc(cc(c1OC)OC)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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-28-15-10-13(11-16(29-2)19(15)30-3)20-18-21(23-17(26)12-31-20)25(24-22(18)27)14-8-6-4-5-7-9-14/h10-11,14,20H,4-9,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
HMRUWJQEVADTQJ-UHFFFAOYSA-N
Synonyms
578761-33-8
(4R)1CYCLOHEPTYL4(345TRIMETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1CYCLOHEPTYL4(345TRIMETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(345TRIMETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl7hydroxy4(345trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
578761338
COC1=CC(=CC(=C1OC)OC)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
COc1cc(cc(c1OC)OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC22H29N3O5Sc128151013(1116(292)19(15)303)201821(2317(26)123120)25(2422(18)27)1486457914h10111420H4912H213H3(H2326)(H2427)
MFCD04076161
ZINC000017195654
ZINC000017195657

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Available files

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