Vitas-M small molecule compound
(6E)-2-ethyl-6-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK020240
SMILES CCc1cc(OCCn2cc(c3c2cccc3)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)CC)cc(c1)C
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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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-4-18-12-17(3)13-20(14-18)34-11-10-31-16-19(21-8-6-7-9-23(21)31)15-22-25(28)32-27(29-26(22)33)35-24(5-2)30-32/h6-9,12-16,28H,4-5,10-11H2,1-3H3/b22-15+,28-25+InChIKey
FFTUQTIGNXHHSV-UQSHPBPOSA-NSynonyms
(6E)2ethyl6((1(2(3ethyl5methylphenoxy)ethyl)1Hindol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2ethyl6((1(2(3ethyl5methylphenoxy)ethyl)1Hindol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1cc(OCCn2cc(c3c2cccc3)C=C2C(=O)N=c3n(C2=N)nc(s3)CC)cc(c1)C
MFCD02992209
STK020240
ZINC000008986436
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