Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[4-(propan-2-yl)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL408835
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)C(C)C)c(=O)[nH]n2C1CCOC(C1)(C)C

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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/c1-13(2)14-5-7-15(8-6-14)19-18-20(23-17(26)12-29-19)25(24-21(18)27)16-9-10-28-22(3,4)11-16/h5-8,13,16,19H,9-12H2,1-4H3,(H,23,26)(H,24,27)
InChIKey
NLNFFYWVWMJXFG-UHFFFAOYSA-N
Synonyms
1574471-16-1
1(22dimethyloxan4yl)4(4propan2ylphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(4(propan2yl)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574471161
CC(C)C1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
InChI=1SC22H29N3O3Sc113(2)145715(8614)191820(2317(26)122919)25(2421(18)27)169102822(34)1116h58131619H912H214H3(H2326)(H2427)
MFCD30705411
OC1=Nc2c(C(SC1)c1ccc(cc1)C(C)C)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117049
ZINC000096117052

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Available files

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