Vitas-M small molecule compound
methyl 5-oxo-1,2,3,4,5,6-hexahydro[1]benzothieno[3'',2'':5',6']pyrimido[1',2':1,5]pyrrolo[2,3-b]quinoxaline-7-carboxylate
Catalog ID
STK538118
SMILES COC(=O)c1c2[nH]c(=O)c3c(n2c2c1nc1ccccc1n2)sc1c3CCCC1
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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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-28-21(27)15-16-18(23-12-8-4-3-7-11(12)22-16)25-17(15)24-19(26)14-10-6-2-5-9-13(10)29-20(14)25/h3-4,7-8H,2,5-6,9H2,1H3,(H,24,26)InChIKey
AHGVVBYAZRMONB-UHFFFAOYSA-NSynonyms
370847-13-5370847135
COC(=O)C1=C2NC(=O)C3=C(N2C4=NC5=CC=CC=C5N=C14)SC6=C3CCCC6
COC(=O)c1c2(nH)c(=O)c3c(n2c2c1nc1ccccc1n2)sc1c3CCCC1
InChI=1SC21H16N4O3Sc12821(27)151618(2312843711(12)2216)2517(15)2419(26)1410625913(10)2920(14)25h3478H2569H21H3(H2426)
methyl5oxo123456hexahydro(1)benzothieno(3256)pyrimido(1215)pyrrolo(23b)quinoxaline7carboxylate
methyl5oxo123456hexahydrobenzo(45)thieno(3256)pyrimido(1215)pyrrolo(23b)quinoxaline7carboxylate
MFCD02999427
ZINC000005695456
ZINC5695456
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