Vitas-M small molecule compound

methyl 4-(1-cyclopentyl-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate

Catalog ID
STL312338
SMILES COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O

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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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-26-19(25)12-8-6-11(7-9-12)16-15-17(20-14(23)10-27-16)22(21-18(15)24)13-4-2-3-5-13/h6-9,13,16H,2-5,10H2,1H3,(H,20,23)(H,21,24)
InChIKey
PTSCNVAWVNENIZ-UHFFFAOYSA-N
Synonyms
1435995-52-0
1435995520
COC(=O)C1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC19H21N3O4Sc12619(25)128611(7912)161517(2014(23)102716)22(2118(15)24)13423513h691316H2510H21H3(H2023)(H2124)
methyl4(1cyclopentyl37dioxo48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)benzoate
methyl4(1cyclopentyl7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoate
MFCD28026596
ZINC000095474703
ZINC000095474704

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Available files

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