Vitas-M small molecule compound
(6Z)-6-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxybenzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK072470
SMILES COc1cc(ccc1OCCSc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C23H21ClN4O3S2 MW 501.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S2/c1-3-20-27-28-21(25)17(22(29)26-23(28)33-20)12-14-4-9-18(19(13-14)30-2)31-10-11-32-16-7-5-15(24)6-8-16/h4-9,12-13,25H,3,10-11H2,1-2H3/b17-12-,25-21-InChIKey
QCJJAECLTAUCQF-FJUVEKCXSA-NSynonyms
(6Z)6(4(2((4chlorophenyl)sulfanyl)ethoxy)3methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2((4chlorophenyl)thio)ethoxy)3methoxybenzylidene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCSc1ccc(cc1)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02109888
STK072470
ZINC000009334011
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