Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-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
STK852910
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-32-25-12-20(9-10-24(25)34-16-19-6-3-2-4-7-19)22-13-26(31)30-17-29(15-21-8-5-11-33-21)18-35-27(30)23(22)14-28/h2-12,22H,13,15-18H2,1H3InChIKey
ZKQFSSGFXLHRKD-UHFFFAOYSA-NSynonyms
896089-54-63(furan2ylmethyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(furan2ylmethyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(furan2ylmethyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896089546
COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4)OCC5=CC=CC=C5
InChI=1SC27H25N3O4Sc132251220(91024(25)3416196324719)221326(31)301729(152185113321)183527(30)23(22)1428h21222H131518H21H3
MFCD06607680
ZINC000020533242
ZINC000020533243
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