Vitas-M small molecule compound
(6E)-2-butyl-6-{3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK028075
SMILES CCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OCC)OCCOc3ccccc3OC)/C2=N)s1
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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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-4-6-11-24-30-31-25(28)19(26(32)29-27(31)37-24)16-18-12-13-22(23(17-18)34-5-2)36-15-14-35-21-10-8-7-9-20(21)33-3/h7-10,12-13,16-17,28H,4-6,11,14-15H2,1-3H3/b19-16+,28-25+InChIKey
QLMFXAOBJKWOJM-NWNSVXBHSA-NSynonyms
(6E)2butyl6(3ethoxy4(2(2methoxyphenoxy)ethoxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OCC)OCCOc3ccccc3OC)C2=N)s1
MFCD03183351
STK028075
ZINC000009136675
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