Vitas-M small molecule compound
(6Z)-6-{[1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224724
SMILES COc1cc(OC)c(cc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC)Cl
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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 C22H22ClN5O3S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3S/c1-6-19-26-28-20(24)14(21(29)25-22(28)32-19)8-13-7-11(2)27(12(13)3)16-9-15(23)17(30-4)10-18(16)31-5/h7-10,24H,6H2,1-5H3/b14-8-,24-20-InChIKey
RGCJXXPERCUOGC-DSNVWQSRSA-NSynonyms
861629-75-6(6Z)6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(5chloro24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861629756
COc1cc(OC)c(cc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC)Cl
MFCD05684834
ZINC000009308974
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