Vitas-M small molecule compound
1-cyclohexyl-7-hydroxy-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL312652
SMILES OC1=Nc2c(C(SC1)c1ccccc1)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 C18H21N3O2S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S/c22-14-11-24-16(12-7-3-1-4-8-12)15-17(19-14)21(20-18(15)23)13-9-5-2-6-10-13/h1,3-4,7-8,13,16H,2,5-6,9-11H2,(H,19,22)(H,20,23)InChIKey
ZYBZKNZUAALQMK-UHFFFAOYSA-NSynonyms
1435986-02-91435986029
1cyclohexyl4phenyl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl7hydroxy4phenyl1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2
InChI=1SC18H21N3O2Sc2214112416(127314812)1517(1914)21(2018(15)23)1395261013h134781316H256911H2(H1922)(H2023)
MFCD28026772
OC1=Nc2c(C(SC1)c1ccccc1)c(=O)(nH)n2C1CCCCC1
ZINC000095474943
ZINC000095474944
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