Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL240852
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C25H22N6O2S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O2S/c1-4-33-20-9-7-19(8-10-20)30-15(2)12-18(16(30)3)13-21-22(26)31-25(28-23(21)32)34-24(29-31)17-6-5-11-27-14-17/h5-14,26H,4H2,1-3H3/b21-13+,26-22-InChIKey
VJHWKISBNUOVFS-HOXQULNLSA-NSynonyms
844451-71-4(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844451714
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04155269
ZINC000009191835
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