Vitas-M small molecule compound
(6Z)-6-({1-[2-(3,4-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK015510
SMILES CCc1nn2c(=NC(=O)/C(=C\c3c(C)n(c4c3cccc4)CCOc3ccc(c(c3)C)C)/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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-5-24-30-32-25(28)22(26(33)29-27(32)35-24)15-21-18(4)31(23-9-7-6-8-20(21)23)12-13-34-19-11-10-16(2)17(3)14-19/h6-11,14-15,28H,5,12-13H2,1-4H3/b22-15-,28-25-InChIKey
JNMWOCNVTLHQGA-DZODVLAESA-NSynonyms
(6Z)6((1(2(34dimethylphenoxy)ethyl)2methyl1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1nn2c(=NC(=O)C(=Cc3c(C)n(c4c3cccc4)CCOc3ccc(c(c3)C)C)C2=N)s1
MFCD08049601
STK015510
ZINC000008986066
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