Vitas-M small molecule compound
(6Z)-2-butyl-6-{[1-(5-chloro-2,4-dimethoxyphenyl)-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
STL224973
SMILES CCCCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cc(Cl)c(cc3OC)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 C24H26ClN5O3S MW 500.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O3S/c1-6-7-8-21-28-30-22(26)16(23(31)27-24(30)34-21)10-15-9-13(2)29(14(15)3)18-11-17(25)19(32-4)12-20(18)33-5/h9-12,26H,6-8H2,1-5H3/b16-10-,26-22-InChIKey
KOPSSOAIITYNFT-UKRFYZHKSA-NSynonyms
(6Z)2butyl6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2butyl6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(Cl)c(cc3OC)OC)C)C2=N)s1
MFCD24857980
ZINC000033622775
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