Vitas-M small molecule compound
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}acetamide
Catalog ID
STK714390
SMILES N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F)C(=O)NCCc1ccc(c(c1)OC)OC
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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 C31H31FN6O3 MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN6O3/c1-40-27-12-7-21(19-28(27)41-2)13-14-34-31(39)24(20-33)29-30(36-26-6-4-3-5-25(26)35-29)38-17-15-37(16-18-38)23-10-8-22(32)9-11-23/h3-12,19,24H,13-18H2,1-2H3,(H,34,39)InChIKey
VNSUVQOWLGIPTI-UHFFFAOYSA-NSynonyms
2cyanoN(2(34dimethoxyphenyl)ethyl)2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
2cyanoN(34dimethoxyphenethyl)2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)acetamide
COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F)OC
InChI=1SC31H31FN6O3c1402712721(1928(27)412)13143431(39)24(2033)2930(3626643525(26)3529)38171537(161838)2310822(32)91123h3121924H1318H212H3(H3439)
MFCD02988569
ZINC000098000035
ZINC000098000036
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