Vitas-M small molecule compound
(6Z)-5-imino-6-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK553921
SMILES COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
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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 C31H27N5O4S MW 565.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O4S/c1-20-7-3-6-10-27(20)40-19-28-34-36-29(32)25(30(37)33-31(36)41-28)17-21-18-35(26-9-5-4-8-24(21)26)15-16-39-23-13-11-22(38-2)12-14-23/h3-14,17-18,32H,15-16,19H2,1-2H3/b25-17-,32-29-InChIKey
SNNNQSNJCVKYIK-UWMJJJBWSA-NSynonyms
(6Z)5imino6((1(2(4methoxyphenoxy)ethyl)1Hindol3yl)methylidene)2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2(4methoxyphenoxy)ethyl)1Hindol3yl)methylene)2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1)OCCn1cc(c2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
MFCD04004936
ZINC000097964924
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