Vitas-M small molecule compound

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

Catalog ID
STL147424
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(c(c1)OC)OC)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 C19H25N3O4S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S/c1-5-12(6-2)22-18-16(19(24)21-22)17(27-10-15(23)20-18)11-7-8-13(25-3)14(9-11)26-4/h7-9,12,17H,5-6,10H2,1-4H3,(H,20,23)(H,21,24)
InChIKey
UHWKPULSJKLYQE-UHFFFAOYSA-N
Synonyms
674357-07-4
(4R)4(34DIMETHOXYPHENYL)1(PENTAN3YL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(34DIMETHOXYPHENYL)1PENTAN3YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(34dimethoxyphenyl)7hydroxy1(pentan3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
674357074
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(c(c1)OC)OC)CC
InChI=1SC19H25N3O4Sc1512(62)221816(19(24)2122)17(271015(23)2018)117813(253)14(911)264h791217H5610H214H3(H2023)(H2124)
MFCD04073569
ZINC000005642588
ZINC000005642632

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Available files

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