Vitas-M small molecule compound
(6Z)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK000358
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(n(c1C)c1cccc2c1cccc2)C)COc1ccccc1
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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 C29H23N5O2S MW 505.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2S/c1-18-15-21(19(2)33(18)25-14-8-10-20-9-6-7-13-23(20)25)16-24-27(30)34-29(31-28(24)35)37-26(32-34)17-36-22-11-4-3-5-12-22/h3-16,30H,17H2,1-2H3/b24-16-,30-27-InChIKey
PRDYDBKLGFQBIY-PUNADZHJSA-NSynonyms
(6Z)6((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD02914702
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1cccc2c1cccc2)C)COc1ccccc1
STK000358
ZINC000004090336
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