Vitas-M small molecule compound
4-(3-chloro-4-hydroxyphenyl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407641
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)[nH]n2C1CCSCC1
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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 C17H18ClN3O3S2 MW 411.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O3S2/c18-11-7-9(1-2-12(11)22)15-14-16(19-13(23)8-26-15)21(20-17(14)24)10-3-5-25-6-4-10/h1-2,7,10,15,22H,3-6,8H2,(H,19,23)(H,20,24)InChIKey
SACFVTGXPXXZPD-UHFFFAOYSA-NSynonyms
1574335-96-81574335968
4(3chloro4hydroxyphenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3chloro4hydroxyphenyl)7hydroxy1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)O)Cl)C(=O)N2
InChI=1SC17H18ClN3O3S2c181179(1212(11)22)151416(1913(23)82615)21(2017(14)24)1035256410h127101522H368H2(H1923)(H2024)
MFCD30704841
OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)(nH)n2C1CCSCC1
ZINC000096118341
ZINC000096118342
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