Vitas-M small molecule compound

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

Catalog ID
STK845717
SMILES CCOc1ccc(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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-2-27-16-11-9-14(10-12-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)15-7-5-3-4-6-8-15/h9-12,15,19H,2-8,13H2,1H3,(H,22,25)(H,23,26)
InChIKey
OEPZPULQLPNDNN-UHFFFAOYSA-N
Synonyms
674363-27-0
(4S)1CYCLOHEPTYL4(4ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(4ETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cycloheptyl4(4ethoxyphenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
674363270
CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC21H27N3O3Sc12271611914(101216)191820(2217(25)132819)24(2321(18)26)1575346815h9121519H2813H21H3(H2225)(H2326)
MFCD04076828
ZINC000004313121
ZINC000006554362

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Available files

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