Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239864
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
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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 C26H28N6O2S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O2S/c1-16-7-9-20(10-8-16)31-17(2)13-19(18(31)3)14-21-24(27)32-26(28-25(21)34)35-22(29-32)15-23(33)30-11-5-4-6-12-30/h7-10,13-14,27H,4-6,11-12,15H2,1-3H3/b21-14+,27-24-InChIKey
BOECHZGTKFGWJR-ZDGMEELJSA-NSynonyms
848058-71-9(6E)6((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848058719
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
MFCD04186814
ZINC000009161319
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