Vitas-M small molecule compound
(6E)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225044
SMILES CCc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(CC)CC
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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 C25H29N5OS MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5OS/c1-6-17-9-11-20(12-10-17)29-15(4)13-19(16(29)5)14-21-22(26)30-25(27-23(21)31)32-24(28-30)18(7-2)8-3/h9-14,18,26H,6-8H2,1-5H3/b21-14+,26-22-InChIKey
YUSNOOKZSYPVIS-RUXPXOEYSA-NSynonyms
848763-48-4(6E)6((1(4ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848763484
CCc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(CC)CC
MFCD04192633
ZINC000009209678
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