Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-[({[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK684561
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nnc2c(n1)n(CCc1ccccc1)c1c2cccc1)OC
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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 C29H27N5O5S MW 557.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O5S/c1-37-23-15-20(28(36)39-3)21(16-24(23)38-2)30-25(35)17-40-29-31-27-26(32-33-29)19-11-7-8-12-22(19)34(27)14-13-18-9-5-4-6-10-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,30,35)InChIKey
DVMGPQJEVUHVKJ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)N=N2)OC
InChI=1SC29H27N5O5Sc137231520(28(36)393)21(1624(23)382)3025(35)174029312726(323329)1911781222(19)34(27)14131895461018h4121516H131417H213H3(H3035)
methyl45dimethoxy2((((5(2phenylethyl)5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoate
methyl45dimethoxy2((2((5(2phenylethyl)(124)triazino(56b)indol3yl)sulfanyl)acetyl)amino)benzoate
METHYL45DIMETHOXY2((2((5PHENETHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05854968
ZINC000001425795
ZINC1425795
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