Vitas-M small molecule compound
(6E)-2-(2-cyclohexylethyl)-6-{[1-(3,5-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
STK712837
SMILES Cc1cc(C)cc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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/c1-17-12-18(2)14-23(13-17)32-19(3)15-22(20(32)4)16-24-26(29)33-28(30-27(24)34)35-25(31-33)11-10-21-8-6-5-7-9-21/h12-16,21,29H,5-11H2,1-4H3/b24-16+,29-26-InChIKey
JSTMGVLMMUFPJE-JTUAQWGLSA-NSynonyms
862208-40-0(6E)2(2cyclohexylethyl)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862208400
Cc1cc(C)cc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05697515
ZINC000009292081
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