Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL150786
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)CC
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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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-3-11(4-2)21-17-15(18(23)20-21)16(26-8-14(22)19-17)10-5-6-12-13(7-10)25-9-24-12/h5-7,11,16H,3-4,8-9H2,1-2H3,(H,19,22)(H,20,23)InChIKey
WNLBIQFQNYSNFT-UHFFFAOYSA-NSynonyms
585560-73-24(13BENZODIOXOL5YL)1(1ETHYLPROPYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(13BENZODIOXOL5YL)1PENTAN3YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(13benzodioxol5yl)7hydroxy1(pentan3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
585560732
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)CC
InChI=1SC18H21N3O4Sc1311(42)211715(18(23)2021)16(26814(22)1917)10561213(710)2592412h571116H3489H212H3(H1922)(H2023)
MFCD04075682
ZINC000005642627
ZINC000005642673
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