Vitas-M small molecule compound
1-(4-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-5-ol
Catalog ID
STL310079
SMILES COc1c(ccc(c1OC)OC)C1SCC(=Nc2c1n(cn2)c1ccc(cc1)F)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 C21H20FN3O4S MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O4S/c1-27-15-9-8-14(18(28-2)19(15)29-3)20-17-21(24-16(26)10-30-20)23-11-25(17)13-6-4-12(22)5-7-13/h4-9,11,20H,10H2,1-3H3,(H,24,26)InChIKey
GTMGDDBSGANBRB-UHFFFAOYSA-NSynonyms
1401536-14-81(4fluorophenyl)8(234trimethoxyphenyl)48dihydroimidazo(45e)(14)thiazepin5one
1(4fluorophenyl)8(234trimethoxyphenyl)68dihydro1Himidazo(45e)(14)thiazepin5ol
1401536148
COC1=C(C(=C(C=C1)C2C3=C(NC(=O)CS2)N=CN3C4=CC=C(C=C4)F)OC)OC
InChI=1SC21H20FN3O4Sc127159814(18(282)19(15)293)201721(2416(26)103020)231125(17)136412(22)5713h491120H10H213H3(H2426)
MFCD28025314
ZINC000079491755
ZINC000079491758
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