Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-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
STL154844
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1)C
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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 C29H34N6O2S MW 530.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O2S/c1-5-18(2)21-9-11-23(12-10-21)34-19(3)15-22(20(34)4)16-24-27(30)35-29(31-28(24)37)38-25(32-35)17-26(36)33-13-7-6-8-14-33/h9-12,15-16,18,30H,5-8,13-14,17H2,1-4H3/b24-16+,30-27-InChIKey
OJZQCONFQNCXOH-RZWNPCLDSA-NSynonyms
848222-72-0(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848222720
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1)C
MFCD04189997
ZINC000009161471
ZINC000009161472
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