Vitas-M small molecule compound
(6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712798
SMILES CCC(c1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1)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 C22H21ClN4O2S MW 440.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2S/c1-4-13(5-2)21-26-27-19(24)16(20(28)25-22(27)30-21)11-15-8-9-18(29-15)14-7-6-12(3)17(23)10-14/h6-11,13,24H,4-5H2,1-3H3/b16-11-,24-19-InChIKey
FWTURAIMIGOBCV-TXEWHKSBSA-NSynonyms
862198-40-1(6Z)6((5(3chloro4methylphenyl)furan2yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((5(3chloro4methylphenyl)furan2yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862198401
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(c(c3)Cl)C)C2=N)s1)CC
MFCD05696953
ZINC000009291938
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