Vitas-M small molecule compound
1-cyclohexyl-7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL320091
SMILES COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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 C19H23N3O4S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S/c1-26-14-8-7-11(9-13(14)23)17-16-18(20-15(24)10-27-17)22(21-19(16)25)12-5-3-2-4-6-12/h7-9,12,17,23H,2-6,10H2,1H3,(H,20,24)(H,21,25)InChIKey
CXILLNLOENIVOB-UHFFFAOYSA-NSynonyms
1436001-10-31436001103
1cyclohexyl4(3hydroxy4methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl7hydroxy4(3hydroxy4methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4)O
COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCC1)O
InChI=1SC19H23N3O4Sc126148711(913(14)23)171618(2015(24)102717)22(2119(16)25)125324612h79121723H2610H21H3(H2024)(H2125)
MFCD28029295
ZINC000095480553
ZINC000095480554
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