Vitas-M small molecule compound
(6Z)-2-butyl-6-{[1-(3-chloro-4-methoxyphenyl)-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
STL224709
SMILES CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc(c(c3)Cl)OC)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 C23H24ClN5O2S MW 469.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O2S/c1-5-6-7-20-27-29-21(25)17(22(30)26-23(29)32-20)11-15-10-13(2)28(14(15)3)16-8-9-19(31-4)18(24)12-16/h8-12,25H,5-7H2,1-4H3/b17-11-,25-21-InChIKey
BVBCCIIJBFBXLF-SSUNUJTHSA-NSynonyms
(6Z)2butyl6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2butyl6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)OC)C)C2=N)s1
MFCD24857870
ZINC000033719525
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