Vitas-M small molecule compound
(6Z)-6-{3-chloro-5-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK556983
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C27H22ClN5O3S MW 532.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O3S/c1-3-35-22-13-18(12-21(28)23(22)36-15-17-8-6-16(2)7-9-17)11-20-24(29)33-27(31-25(20)34)37-26(32-33)19-5-4-10-30-14-19/h4-14,29H,3,15H2,1-2H3/b20-11-,29-24-InChIKey
XAFXLONPFNCVFG-LGMNDEOKSA-NSynonyms
577988-43-3(6Z)6(3chloro5ethoxy4((4methylbenzyl)oxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro5ethoxy4((4methylbenzyl)oxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
577988433
CCOc1cc(cc(c1OCc1ccc(cc1)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04021943
ZINC000100946994
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