Vitas-M small molecule compound
methyl 2-{11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-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
STK539710
SMILES COc1cc(ccc1OC)CCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1sc2c(c1C(=O)OC)CCCC2
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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 C33H31N5O5S MW 609.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O5S/c1-18-34-29-27(31(39)38(18)32-26(33(40)43-4)20-9-5-8-12-25(20)44-32)28-30(36-22-11-7-6-10-21(22)35-28)37(29)16-15-19-13-14-23(41-2)24(17-19)42-3/h6-7,10-11,13-14,17H,5,8-9,12,15-16H2,1-4H3InChIKey
QZZPTQFRKPQTED-UHFFFAOYSA-NSynonyms
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1C6=C(C7=C(S6)CCCC7)C(=O)OC
InChI=1SC33H31N5O5Sc118342927(31(39)38(18)3226(33(40)434)209581225(20)4432)2830(362211761021(22)3528)37(29)161519131423(412)24(1719)423h671011131417H589121516H214H3
methyl2(11(2(34dimethoxyphenyl)ethyl)2methyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(11(34dimethoxyphenethyl)2methyl4oxo411dihydro3Hpyrimido(5445)pyrrolo(23b)quinoxalin3yl)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03010813
ZINC000102425629
ZINC102425629
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