Vitas-M small molecule compound
1-cyclohexyl-7-hydroxy-4-(2-hydroxypyridin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL312148
SMILES OC1=Nc2c(C(SC1)c1cccnc1O)c(=O)[nH]n2C1CCCCC1
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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 C17H20N4O3S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3S/c22-12-9-25-14(11-7-4-8-18-16(11)23)13-15(19-12)21(20-17(13)24)10-5-2-1-3-6-10/h4,7-8,10,14H,1-3,5-6,9H2,(H,18,23)(H,19,22)(H,20,24)InChIKey
NFHWLMSNECOICK-UHFFFAOYSA-NSynonyms
1435906-25-41435906254
1cyclohexyl4(2oxo1Hpyridin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl7hydroxy4(2hydroxypyridin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=CNC4=O)C(=O)N2
InChI=1SC17H20N4O3Sc221292514(117481816(11)23)1315(1912)21(2017(13)24)105213610h4781014H13569H2(H1823)(H1922)(H2024)
MFCD28026497
OC1=Nc2c(C(SC1)c1cccnc1O)c(=O)(nH)n2C1CCCCC1
ZINC000095474564
ZINC000095474565
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