Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224781
SMILES CCCCCCc1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)OCC)C)/C(=N)n2n1
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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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-5-7-8-9-10-23-29-31-24(27)22(25(32)28-26(31)34-23)16-19-15-17(3)30(18(19)4)20-11-13-21(14-12-20)33-6-2/h11-16,27H,5-10H2,1-4H3/b22-16+,27-24-InChIKey
ZNSOBUACJBZQCV-SHQKSRGUSA-NSynonyms
877784-60-6(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2hexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2hexyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877784606
CCCCCCc1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)OCC)C)C(=N)n2n1
MFCD05701029
ZINC000009293362
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