Vitas-M small molecule compound
7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-4-(thiophen-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409537
SMILES OC1=Nc2c(C(SC1)c1cscc1)c(=O)[nH]n2C1CCOCC1
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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 C15H17N3O3S2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O3S2/c19-11-8-23-13(9-3-6-22-7-9)12-14(16-11)18(17-15(12)20)10-1-4-21-5-2-10/h3,6-7,10,13H,1-2,4-5,8H2,(H,16,19)(H,17,20)InChIKey
BRBKVFFCACFVBK-UHFFFAOYSA-NSynonyms
1574477-05-61(oxan4yl)4thiophen3yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574477056
7hydroxy1(tetrahydro2Hpyran4yl)4(thiophen3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CSC=C4)C(=O)N2
InChI=1SC15H17N3O3S2c191182313(9362279)1214(1611)18(1715(12)20)1014215210h3671013H12458H2(H1619)(H1720)
MFCD30705763
OC1=Nc2c(C(SC1)c1cscc1)c(=O)(nH)n2C1CCOCC1
ZINC000096118010
ZINC000096118011
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