Vitas-M small molecule compound
ethyl 4-{5-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
Catalog ID
STK980125
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)c1ccc(cc1)C(=O)OCC
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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 C28H26N4O5S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O5S/c1-4-8-23(33)32-20-10-7-6-9-19(20)24-25(29-28(38-3)31-30-24)37-26(32)22-16-15-21(36-22)17-11-13-18(14-12-17)27(34)35-5-2/h6-7,9-16,26H,4-5,8H2,1-3H3InChIKey
IBQVZMPBVZFKFM-UHFFFAOYSA-NSynonyms
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)OCC
ethyl4(5(7butanoyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)furan2yl)benzoate
ethyl4(5(7butanoyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)furan2yl)benzoate
InChI=1SC28H26N4O5Sc14823(33)32201076919(20)2425(2928(383)313024)3726(32)22161521(3622)17111318(141217)27(34)3552h6791626H458H213H3
MFCD03080502
ZINC000001007366
ZINC000001007367
Check stock
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