Vitas-M small molecule compound
(6Z)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712712
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C)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 C23H25N5OS MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5OS/c1-6-13(2)17-7-9-19(10-8-17)27-14(3)11-18(15(27)4)12-20-21(24)28-23(25-22(20)29)30-16(5)26-28/h7-13,24H,6H2,1-5H3/b20-12-,24-21-InChIKey
WQBYEXBMKKTEMX-LFZBBTMZSA-NSynonyms
(6Z)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2methyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C)C
MFCD13371469
ZINC000033432371
ZINC000036082003
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