Vitas-M small molecule compound
1-cycloheptyl-7-hydroxy-4-(2-hydroxypyridin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL318552
SMILES OC1=Nc2c(C(SC1)c1cccnc1O)c(=O)[nH]n2C1CCCCCC1
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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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c23-13-10-26-15(12-8-5-9-19-17(12)24)14-16(20-13)22(21-18(14)25)11-6-3-1-2-4-7-11/h5,8-9,11,15H,1-4,6-7,10H2,(H,19,24)(H,20,23)(H,21,25)InChIKey
DCTNHVOTICULLN-UHFFFAOYSA-NSynonyms
1435980-27-01435980270
1cycloheptyl4(2oxo1Hpyridin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cycloheptyl7hydroxy4(2hydroxypyridin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=CNC4=O)C(=O)N2
InChI=1SC18H22N4O3Sc2313102615(128591917(12)24)1416(2013)22(2118(14)25)1163124711h5891115H146710H2(H1924)(H2023)(H2125)
MFCD28031352
OC1=Nc2c(C(SC1)c1cccnc1O)c(=O)(nH)n2C1CCCCCC1
ZINC000095479393
ZINC000095479394
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