Vitas-M small molecule compound
(6Z)-2-butyl-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145945
SMILES CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc(c(c3)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 C24H27N5OS MW 433.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5OS/c1-6-7-8-21-27-29-22(25)20(23(30)26-24(29)31-21)13-18-12-16(4)28(17(18)5)19-10-9-14(2)15(3)11-19/h9-13,25H,6-8H2,1-5H3/b20-13-,25-22-InChIKey
WHLHVDFHFXSGGG-ORVWWNJKSA-NSynonyms
(6Z)2butyl6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2butyl6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)C)C)C)C2=N)s1
MFCD20731925
ZINC000034259325
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