Vitas-M small molecule compound
methyl 2-[11-(4-chlorophenyl)-2-ethyl-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
STK540373
SMILES COC(=O)c1c2CCCCc2sc1n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Cl
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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 C30H24ClN5O3S MW 570.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN5O3S/c1-3-22-34-26-24(28(37)36(22)29-23(30(38)39-2)18-8-4-7-11-21(18)40-29)25-27(33-20-10-6-5-9-19(20)32-25)35(26)17-14-12-16(31)13-15-17/h5-6,9-10,12-15H,3-4,7-8,11H2,1-2H3InChIKey
YRZTWUPUCOXMAB-UHFFFAOYSA-NSynonyms
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)Cl)C(=O)N1C6=C(C7=C(S6)CCCC7)C(=O)OC
InChI=1SC30H24ClN5O3Sc1322342624(28(37)36(22)2923(30(38)392)188471121(18)4029)2527(33201065919(20)3225)35(26)17141216(31)131517h569101215H347811H212H3
methyl2(11(4chlorophenyl)2ethyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(11(4chlorophenyl)2ethyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03008150
ZINC000001897845
ZINC01897845
ZINC1897845
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