Vitas-M small molecule compound
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886798
SMILES CCOc1cc(cc(c1O)Br)C1CC(=O)N2C(=C1C#N)SCN(C2)Cc1ccco1
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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 C21H20BrN3O4S MW 490.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O4S/c1-2-28-18-7-13(6-17(22)20(18)27)15-8-19(26)25-11-24(10-14-4-3-5-29-14)12-30-21(25)16(15)9-23/h3-7,15,27H,2,8,10-12H2,1H3InChIKey
YOYUBJDJTJJNPU-UHFFFAOYSA-NSynonyms
897831-42-48(3bromo5ethoxy4hydroxyphenyl)3(furan2ylmethyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromo5ethoxy4hydroxyphenyl)3(furan2ylmethyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
897831424
CCOC1=C(C(=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4)Br)O
InChI=1SC21H20BrN3O4Sc122818713(617(22)20(18)27)15819(26)251124(10144352914)123021(25)16(15)923h371527H281012H21H3
MFCD07654842
ZINC000020348124
ZINC000020348126
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