Vitas-M small molecule compound

4-(2-ethoxyphenyl)-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

Catalog ID
STL493536
SMILES CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(CC)CC

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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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-4-12(5-2)22-18-16(19(24)21-22)17(26-11-15(23)20-18)13-9-7-8-10-14(13)25-6-3/h7-10,12,17H,4-6,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKey
KBNCACLVDAJWBN-UHFFFAOYSA-N
Synonyms
714934-05-1
(4R)4(2ETHOXYPHENYL)1(PENTAN3YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(2ETHOXYPHENYL)1(PENTAN3YL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(2ethoxyphenyl)1(pentan3yl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(2ETHOXYPHENYL)1PENTAN3YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714934051
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OCC)C(=O)N1
CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C(CC)CC
InChI=1SC19H25N3O3Sc1412(52)221816(19(24)2122)17(261115(23)2018)139781014(13)2563h7101217H4611H213H3(H2023)(H2124)
MFCD30715836
ZINC000005500869

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Available files

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