Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224892
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(C)C)C)/C2=N)s1
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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 C28H35N5OS MW 489.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5OS/c1-6-7-8-9-10-11-25-31-33-26(29)24(27(34)30-28(33)35-25)17-22-16-19(4)32(20(22)5)23-14-12-21(13-15-23)18(2)3/h12-18,29H,6-11H2,1-5H3/b24-17+,29-26-InChIKey
FZBDOUOOQRKMTA-BJVQSHRUSA-NSynonyms
846066-15-7(6E)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2heptyl5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
846066157
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C(C)C)C)C2=N)s1
MFCD04174156
ZINC000101126358
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