Vitas-M small molecule compound
3-(4-butylphenyl)-8-(2-methoxynaphthalen-1-yl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827321
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(OC)ccc2c1cccc2
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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 C29H29N3O2S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O2S/c1-3-4-7-20-10-13-22(14-11-20)31-18-32-27(33)16-24(25(17-30)29(32)35-19-31)28-23-9-6-5-8-21(23)12-15-26(28)34-2/h5-6,8-15,24H,3-4,7,16,18-19H2,1-2H3InChIKey
XZBJTHGNRYZPCW-UHFFFAOYSA-NSynonyms
3(4butylphenyl)8(2methoxynaphthalen1yl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)8(2methoxynaphthalen1yl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC5=CC=CC=C54)OC
InChI=1SC29H29N3O2Sc134720101322(141120)31183227(33)1624(25(1730)29(32)351931)2823965821(23)121526(28)342h5681524H347161819H212H3
MFCD10087615
ZINC000012251000
ZINC000012251001
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