Vitas-M small molecule compound
7-hydroxy-1-(propan-2-yl)-4-(2,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL318449
SMILES COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O)OC
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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 C18H23N3O5S MW 393.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O5S/c1-9(2)21-17-15(18(23)20-21)16(27-8-14(22)19-17)10-6-12(25-4)13(26-5)7-11(10)24-3/h6-7,9,16H,8H2,1-5H3,(H,19,22)(H,20,23)InChIKey
REWZAMMJNYPZAI-UHFFFAOYSA-NSynonyms
1435996-16-91435996169
1propan2yl4(245trimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy1(propan2yl)4(245trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=C(C=C3OC)OC)OC)C(=O)N1
COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O)OC
InChI=1SC18H23N3O5Sc19(2)211715(18(23)2021)16(27814(22)1917)10612(254)13(265)711(10)243h67916H8H215H3(H1922)(H2023)
MFCD28031295
ZINC000095479308
ZINC000095479309
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