Vitas-M small molecule compound
ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK538611
SMILES CCOC(=O)C1=C(SC2C1CCCC2)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1
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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 C30H27N5O3S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O3S/c1-2-38-30(37)23-19-12-6-9-15-22(19)39-29(23)35-17-31-26-24(28(35)36)25-27(33-21-14-8-7-13-20(21)32-25)34(26)16-18-10-4-3-5-11-18/h3-5,7-8,10-11,13-14,17,19,22H,2,6,9,12,15-16H2,1H3InChIKey
WAOKOPMMMKSWFQ-UHFFFAOYSA-NSynonyms
369393-70-4369393704
CCOC(=O)C1=C(SC2C1CCCC2)N3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4CC7=CC=CC=C7
ethyl2(11benzyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2(11benzyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)3a45677ahexahydrobenzo(b)thiophene3carboxylate
InChI=1SC30H27N5O3Sc123830(37)231912691522(19)3929(23)3517312624(28(35)36)2527(332114871320(21)3225)34(26)1618104351118h357810111314171922H269121516H21H3
MFCD03000125
ZINC000002310750
ZINC000002310753
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