Vitas-M small molecule compound
1-cyclopentyl-7-hydroxy-4-(2-hydroxypyridin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL317170
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1cccnc1O)C1CCCC1
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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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c21-11-8-24-13(10-6-3-7-17-15(10)22)12-14(18-11)20(19-16(12)23)9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H,17,22)(H,18,21)(H,19,23)InChIKey
VTBFNRNKRBWIIB-UHFFFAOYSA-NSynonyms
1435978-89-41435978894
1cyclopentyl4(2oxo1Hpyridin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl7hydroxy4(2hydroxypyridin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=CNC4=O)C(=O)N2
InChI=1SC16H18N4O3Sc211182413(106371715(10)22)1214(1811)20(1916(12)23)941259h367913H12458H2(H1722)(H1821)(H1923)
MFCD28028218
OC1=Nc2n((nH)c(=O)c2C(SC1)c1cccnc1O)C1CCCC1
ZINC000095478320
ZINC000095478321
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