Vitas-M small molecule compound
(6E)-6-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK050793
SMILES CCOc1cc(cc(c1OCCOc1ccccc1OC)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC
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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 C26H27ClN4O5S MW 543.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O5S/c1-4-8-22-30-31-24(28)17(25(32)29-26(31)37-22)13-16-14-18(27)23(21(15-16)34-5-2)36-12-11-35-20-10-7-6-9-19(20)33-3/h6-7,9-10,13-15,28H,4-5,8,11-12H2,1-3H3/b17-13+,28-24+InChIKey
NIDAFWPIJWHPQR-RWQNRJGTSA-NSynonyms
(6E)6(3chloro5ethoxy4(2(2methoxyphenoxy)ethoxy)benzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(cc(c1OCCOc1ccccc1OC)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC
MFCD03227314
STK050793
ZINC000097958670
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