Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409823
SMILES OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c22-14-8-27-16(10-1-2-12-13(7-10)26-9-25-12)15-17(19-14)21(20-18(15)23)11-3-5-24-6-4-11/h1-2,7,11,16H,3-6,8-9H2,(H,19,22)(H,20,23)InChIKey
PFCPZRVFQKTRNA-UHFFFAOYSA-NSynonyms
1574480-67-31574480673
4(13benzodioxol5yl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(13benzodioxol5yl)7hydroxy1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N2
InChI=1SC18H19N3O5Sc221482716(10121213(710)2692512)1517(1914)21(2018(15)23)1135246411h1271116H3689H2(H1922)(H2023)
MFCD30705903
OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(=O)(nH)n2C1CCOCC1
ZINC000096117789
ZINC000096117790
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