Vitas-M small molecule compound
(6E)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145969
SMILES CCCCCc1nn2c(=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 C26H31N5OS MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5OS/c1-6-7-8-9-23-29-31-24(27)22(25(32)28-26(31)33-23)15-20-14-17(4)30(18(20)5)21-12-10-19(11-13-21)16(2)3/h10-16,27H,6-9H2,1-5H3/b22-15+,27-24-InChIKey
QZXNLBYDFWHAGU-VBMYQUNLSA-NSynonyms
844655-55-6(6E)6((25dimethyl1(4(propan2yl)phenyl)1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(4isopropylphenyl)25dimethyl1Hpyrrol3yl)methylene)2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844655556
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C(C)C)C)C2=N)s1
MFCD04159491
ZINC000009193128
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