Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-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
STL224949
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc4c3cccc4)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 C29H31N5OS MW 497.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5OS/c1-4-5-6-7-8-16-26-32-34-27(30)24(28(35)31-29(34)36-26)18-22-17-19(2)33(20(22)3)25-15-11-13-21-12-9-10-14-23(21)25/h9-15,17-18,30H,4-8,16H2,1-3H3/b24-18+,30-27-InChIKey
LLCPYEDFUBNZQZ-RHRCVIRGSA-NSynonyms
861148-17-6(6E)6((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(naphthalen1yl)1Hpyrrol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861148176
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc4c3cccc4)C)C2=N)s1
MFCD05684368
ZINC000101198763
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