Vitas-M small molecule compound
(6E)-2-(2-cyclohexylethyl)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712831
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1c(C)cccc1C)C)CCC1CCCCC1
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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 C28H33N5OS MW 487.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5OS/c1-17-9-8-10-18(2)25(17)32-19(3)15-22(20(32)4)16-23-26(29)33-28(30-27(23)34)35-24(31-33)14-13-21-11-6-5-7-12-21/h8-10,15-16,21,29H,5-7,11-14H2,1-4H3/b23-16+,29-26-InChIKey
ZQDWNOJBZYAGNN-CQQKDQNOSA-NSynonyms
850827-01-9(6E)2(2cyclohexylethyl)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850827019
MFCD05694338
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1c(C)cccc1C)C)CCC1CCCCC1
ZINC000009291215
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