Vitas-M small molecule compound
7-hydroxy-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL310080
SMILES COc1cc(ccc1OC(C)C)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O
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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 C19H25N3O4S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S/c1-10(2)22-18-16(19(24)21-22)17(27-9-15(23)20-18)12-6-7-13(26-11(3)4)14(8-12)25-5/h6-8,10-11,17H,9H2,1-5H3,(H,20,23)(H,21,24)InChIKey
MIGBLYYEESSBMA-UHFFFAOYSA-NSynonyms
1435979-24-01435979240
4(3methoxy4propan2yloxyphenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(3methoxy4(propan2yloxy)phenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3)OC(C)C)OC)C(=O)N1
COc1cc(ccc1OC(C)C)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O
InChI=1SC19H25N3O4Sc110(2)221816(19(24)2122)17(27915(23)2018)126713(2611(3)4)14(812)255h68101117H9H215H3(H2023)(H2124)
MFCD28025315
ZINC000095473075
ZINC000095473076
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