Vitas-M small molecule compound
(6E)-2-cyclohexyl-6-{1-[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]ethylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL152216
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C(\c1cc(n(c1C)c1ccc2c(c1)cccc2)C)/C)C1CCCCC1
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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 C29H29N5OS MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS/c1-17-15-24(19(3)33(17)23-14-13-20-9-7-8-12-22(20)16-23)18(2)25-26(30)34-29(31-27(25)35)36-28(32-34)21-10-5-4-6-11-21/h7-9,12-16,21,30H,4-6,10-11H2,1-3H3/b25-18+,30-26-InChIKey
LAEWTOWAQUTLQY-OPOXALKPSA-NSynonyms
1392296-69-3(6E)2cyclohexyl6(1(25dimethyl1(naphthalen2yl)1Hpyrrol3yl)ethylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2cyclohexyl6(1(25dimethyl1(naphthalen2yl)1Hpyrrol3yl)ethylidene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1392296693
MFCD04165001
O=C1N=c2sc(nn2C(=N)C1=C(c1cc(n(c1C)c1ccc2c(c1)cccc2)C)C)C1CCCCC1
ZINC000009281146
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