Vitas-M small molecule compound

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

Catalog ID
STL319111
SMILES COc1cc(ccc1O)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-8(2)19-15-13(16(22)18-19)14(24-7-12(21)17-15)9-4-5-10(20)11(6-9)23-3/h4-6,8,14,20H,7H2,1-3H3,(H,17,21)(H,18,22)
InChIKey
QSJODASQRUUAGB-UHFFFAOYSA-N
Synonyms
1436003-70-1
1436003701
4(4hydroxy3methoxyphenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4hydroxy3methoxyphenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)N1
COc1cc(ccc1O)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O
InChI=1SC16H19N3O4Sc18(2)191513(16(22)1819)14(24712(21)1715)94510(20)11(69)233h4681420H7H213H3(H1721)(H1822)
MFCD28031669
ZINC000095479818
ZINC000095479819

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Available files

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