Vitas-M small molecule compound
4-(7-chloro-1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408842
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C1CCOC(C1)(C)C
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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 C20H22ClN3O5S MW 451.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O5S/c1-20(2)7-11(3-4-29-20)24-18-15(19(26)23-24)17(30-8-14(25)22-18)10-5-12(21)16-13(6-10)27-9-28-16/h5-6,11,17H,3-4,7-9H2,1-2H3,(H,22,25)(H,23,26)InChIKey
GTVRTUDPFSMKMQ-UHFFFAOYSA-NSynonyms
1574299-95-81574299958
4(7chloro13benzodioxol5yl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(7chloro13benzodioxol5yl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=C(C(=C4)Cl)OCO5)C(=O)N2)C
InChI=1SC20H22ClN3O5Sc120(2)711(342920)241815(19(26)2324)17(30814(25)2218)10512(21)1613(610)2792816h561117H3479H212H3(H2225)(H2326)
MFCD30705415
OC1=Nc2n((nH)c(=O)c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C1CCOC(C1)(C)C
ZINC000096231190
ZINC000096231193
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