Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224774
SMILES CCCCCc1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(CC)C)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 C27H33N5OS MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5OS/c1-6-8-9-10-24-30-32-25(28)23(26(33)29-27(32)34-24)16-21-15-18(4)31(19(21)5)22-13-11-20(12-14-22)17(3)7-2/h11-17,28H,6-10H2,1-5H3/b23-16+,28-25-InChIKey
VOEHCUUQJVVJRZ-RRSDJOIDSA-NSynonyms
848733-67-5(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848733675
CCCCCc1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)C(CC)C)C)C(=N)n2n1
MFCD04194200
ZINC000009209948
ZINC000009209949
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