Vitas-M small molecule compound
methyl 2-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
STL349527
SMILES COC(=O)c1c2[nH]c(=O)c3c(n2c2c1nc1ccccc1n2)sc1c3CCC(C1)C
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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-10-7-8-11-14(9-10)30-21-15(11)20(27)25-18-16(22(28)29-2)17-19(26(18)21)24-13-6-4-3-5-12(13)23-17/h3-6,10H,7-9H2,1-2H3,(H,25,27)InChIKey
UEMURNRJPANFDT-UHFFFAOYSA-NSynonyms
499230-88-5499230885
CC1CCC2=C(C1)SC3=C2C(=O)NC4=C(C5=NC6=CC=CC=C6N=C5N43)C(=O)OC
COC(=O)c1c2(nH)c(=O)c3c(n2c2c1nc1ccccc1n2)sc1c3CCC(C1)C
InChI=1SC22H18N4O3Sc110781114(910)302115(11)20(27)251816(22(28)292)1719(26(18)21)2413643512(13)2317h3610H79H212H3(H2527)
methyl2methyl5oxo123456hexahydro(1)benzothieno(3256)pyrimido(1215)pyrrolo(23b)quinoxaline7carboxylate
methyl2methyl5oxo123456hexahydrobenzo(45)thieno(3256)pyrimido(1215)pyrrolo(23b)quinoxaline7carboxylate
MFCD03961103
ZINC000002217991
ZINC000002217993
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