Vitas-M small molecule compound
(6Z)-6-(3-chloro-4-{2-[2-(propan-2-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL235445
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1C(C)C)c1cccnc1
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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 C28H24ClN5O3S MW 546.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN5O3S/c1-17(2)20-7-3-4-8-23(20)36-12-13-37-24-10-9-18(15-22(24)29)14-21-25(30)34-28(32-26(21)35)38-27(33-34)19-6-5-11-31-16-19/h3-11,14-17,30H,12-13H2,1-2H3/b21-14-,30-25-InChIKey
NNGHVLHRRWMQFK-GTDBEXDBSA-NSynonyms
848868-02-0(6Z)6(3chloro4(2(2(propan2yl)phenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro4(2(2isopropylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848868020
MFCD04197276
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Cl)OCCOc1ccccc1C(C)C)c1cccnc1
ZINC000100946387
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