Vitas-M small molecule compound
1-cyclopentyl-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL311872
SMILES COc1cc(ccc1O)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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-25-13-8-10(6-7-12(13)22)16-15-17(19-14(23)9-26-16)21(20-18(15)24)11-4-2-3-5-11/h6-8,11,16,22H,2-5,9H2,1H3,(H,19,23)(H,20,24)InChIKey
QGLNMMDMOGPCGF-UHFFFAOYSA-NSynonyms
1436003-17-61436003176
1cyclopentyl4(4hydroxy3methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl7hydroxy4(4hydroxy3methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=C(C=CC(=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4)O
COc1cc(ccc1O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC18H21N3O4Sc12513810(6712(13)22)161517(1914(23)92616)21(2018(15)24)11423511h68111622H259H21H3(H1923)(H2024)
MFCD28026343
ZINC000095474363
ZINC000095474364
Check stock
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