Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL423494
SMILES OC1=Nc2c(C(SC1)c1ccnn1C(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 C19H27N5O3S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N5O3S/c1-11(2)23-13(5-7-20-23)16-15-17(21-14(25)10-28-16)24(22-18(15)26)12-6-8-27-19(3,4)9-12/h5,7,11-12,16H,6,8-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
RJQRCELQXGHWGE-UHFFFAOYSA-N
Synonyms
1630906-12-5
1(22dimethyloxan4yl)4(2propan2ylpyrazol3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(1(propan2yl)1Hpyrazol5yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1630906125
CC(C)N1C(=CC=N1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
InChI=1SC19H27N5O3Sc111(2)2313(572023)161517(2114(25)102816)24(2218(15)26)12682719(34)912h57111216H6810H214H3(H2125)(H2226)
MFCD30708801
OC1=Nc2c(C(SC1)c1ccnn1C(C)C)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000218271642
ZINC000218271819

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Available files

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