Vitas-M small molecule compound
1-cyclooctyl-7-hydroxy-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL310001
SMILES OC1=Nc2c(C(SC1)c1ccccc1)c(=O)[nH]n2C1CCCCCCC1
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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 C20H25N3O2S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S/c24-16-13-26-18(14-9-5-4-6-10-14)17-19(21-16)23(22-20(17)25)15-11-7-2-1-3-8-12-15/h4-6,9-10,15,18H,1-3,7-8,11-13H2,(H,21,24)(H,22,25)InChIKey
YXYGIYNXKWSDQR-UHFFFAOYSA-NSynonyms
1435980-70-31435980703
1cyclooctyl4phenyl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclooctyl7hydroxy4phenyl1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCCC(CCC1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2
InChI=1SC20H25N3O2Sc2416132618(1495461014)1719(2116)23(2220(17)25)1511721381215h469101518H13781113H2(H2124)(H2225)
MFCD28025271
OC1=Nc2c(C(SC1)c1ccccc1)c(=O)(nH)n2C1CCCCCCC1
ZINC000095473013
ZINC000095473014
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