Vitas-M small molecule compound
11-pentyl-3-(thiophen-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990691
SMILES CCCCCn1c2nc3ccccc3nc2c2c1ncn(c2=O)Cc1cccs1
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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 C22H21N5OS MW 403.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5OS/c1-2-3-6-11-27-20-18(19-21(27)25-17-10-5-4-9-16(17)24-19)22(28)26(14-23-20)13-15-8-7-12-29-15/h4-5,7-10,12,14H,2-3,6,11,13H2,1H3InChIKey
MKJPHOUTHYHPPH-UHFFFAOYSA-NSynonyms
11pentyl3(thiophen2ylmethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)CC5=CC=CS5
InChI=1SC22H21N5OSc123611272018(1921(27)25171054916(17)2419)22(28)26(142320)131587122915h457101214H2361113H21H3
MFCD05701727
ZINC000005030641
ZINC05030641
ZINC5030641
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