Vitas-M small molecule compound
methyl 2-[2-ethyl-11-(3-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK538713
SMILES COc1cccc(c1)n1c2nc3ccccc3nc2c2c1nc(CC)n(c2=O)c1sc2c(c1C(=O)OC)CCCC2
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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/c1-4-23-34-27-25(29(37)36(23)30-24(31(38)40-3)19-12-5-8-15-22(19)41-30)26-28(33-21-14-7-6-13-20(21)32-26)35(27)17-10-9-11-18(16-17)39-2/h6-7,9-11,13-14,16H,4-5,8,12,15H2,1-3H3InChIKey
JIDJLXBVVGCLCT-UHFFFAOYSA-NSynonyms
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=CC=C5)OC)C(=O)N1C6=C(C7=C(S6)CCCC7)C(=O)OC
InChI=1SC31H27N5O4Sc1423342725(29(37)36(23)3024(31(38)403)1912581522(19)4130)2628(332114761320(21)3226)35(27)171091118(1617)392h67911131416H4581215H213H3
methyl2(2ethyl11(3methoxyphenyl)4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2ethyl11(3methoxyphenyl)4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03007512
ZINC000001872640
ZINC01872640
ZINC1872640
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