Vitas-M small molecule compound

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

Catalog ID
STL407489
SMILES OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(=O)[nH]n2C1CCSCC1

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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 C18H19N3O4S2 MW 405.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S2/c22-14-8-27-16(10-1-2-12-13(7-10)25-9-24-12)15-17(19-14)21(20-18(15)23)11-3-5-26-6-4-11/h1-2,7,11,16H,3-6,8-9H2,(H,19,22)(H,20,23)
InChIKey
MNAJJNJFJIXQKX-UHFFFAOYSA-N
Synonyms
1574309-22-0
1574309220
4(13benzodioxol5yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(13benzodioxol5yl)7hydroxy1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N2
InChI=1SC18H19N3O4S2c221482716(10121213(710)2592412)1517(1914)21(2018(15)23)1135266411h1271116H3689H2(H1922)(H2023)
MFCD30704768
OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(=O)(nH)n2C1CCSCC1
ZINC000096118375
ZINC000096118376

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Available files

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